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A CRITIQUE OF VARIOUS THEORIES’
ABILITY TO PREDICT THE THERMODYNAMICS 0F

INORGANIC SOLUTES IN PURE LIQUID METALS

by

James Hughlon Tate

A THESIS

Submitted to
Michigan State University
in partial fulfillment of the requirements

for the degree of
MASTER OF SCIENCE
Department of Chemical Engineering

1986

ABSTRACT

A CRITIQUE OF VARIOUS THEORIES’
ABILITY TO PREDICT THE THERMODYNAMICS OF

INORGANIC SOLUTES IN PURE LIQUID METALS

by

James Hughlon Tate

Various theories exist which can be used to calculate the
solubility or the activity of inorganics dissolved in liquid metal.
This thesis critiques four theories by comparing theory predictions
with experimental data. ’

Each theory contains a free parameter. Correlations were
generated for the free parameters by using experimental data to back
calculate the free parameters. The correlations were in turn used to
predict values which were compared to the experimental data. A large
amount of experimental data was gathered.

A surface tension theory of the authors (1) was found to give
the best results when calculating the activity coefficient of oxygen or
carbon in pure liquid transition metals. The quasi-chemical solution

theory of Guggenhiem (2) was found to give the best results when

calculating the activity coefficient of oxygen or carbon in pure liquid
metals other than the transition metals. The quasi-chemical theory was
best for calculating the activity coefficient of hydrogen and nitrogen
in any pure liquid metal. The regular solution theory of Hilderbrand
(3) and the interaction energy theory of Lee and Johnson (4) was found

to be inadequate.

l) Tate "A Critique of Various Theories’ Ability to Predict the
Thermodynamics of Inorganic Solutes in Pure Liquid Metals” Masters

Thesis Michigan State University, Department of Chemical Engineering

1986

2) Guggenhiem ”Mixtures" Oxford University Press Oxford 1952

3) Hilderbrand and Scott ”The Solubility of Non-electrolytes” 3rd

edition, Van Nostrand Reinhold, NY 1950

4) Lee and Johnson (1&EC Fundamentals) 1969, vol 8, page 726

TABLE OF CONTENTS

List of Figures...................................iii
Introduction......................................I
The Regular Solution Theory.......................3
Quasi-Chemical Solution Theory Developement.......12
Lee and Johnson Theory Developement...............23
Emi and Pehlke Theory Deve10pement................42
Surface Tension Theory Developement...............49
Correlations Found................................61
Comparisons of Theory Predictions with
Experimental Data.....................79

Conclusions.......................................86
Appendix A

Computer Code and Print Outs...................89
Appendix B

Experimental Data..............................243
Appendix C

Experimental Techniques........................282

BibliograthOCOOOOOOOOOOOOOOOOOOOOOOOOOOOOO0......299

ii

Figure

Figure

Figure

Figure

Figure

Figure

Figure

Figure

Figure

Figure

Figure

10

ll

Nab

Nab

Nab

Nab

Nab

Nab

Nab

Nab

LIST OF FIGURES

Predicted by the Regular Solution

Theory for Metal-Carbon Systems........65
Predicted by the Regular Solution

Theory for Metal-Oxygen Systems........66
Predicted by the Regular Solution

Theory for Metal-Hydrogen Systems......66
Predicted by the Regular Solution

Theory for Metal-Nitrogen Systems......68
Predicted by the Quasi-Chemical

Theory for Metal-Carbon Systems........69
Predicted by the Regular Solution

Theory for Metal-Oxygen Systems........70
Predicted by the Quasi-Chemical

Theory for Metal-Hydrogen Systems......71
Predicted by the Quasi-Chemical

Theory for Metal-Nitrogen Systems......72

Solute Radius Predicted by the Surface Tension

Theory for Metal-Carbon Systems........73

Solute Radius Predicted by the Surface Tension

Theory for Metal-Oxygen Systems........74

Solute Radius Predicted by the Surface Tension

Theory for Metal-Hydrogen Systems......75

iii

Figure 12 Solute Radius Predicted by the Surface Tension

Theory for Metal-Nitrogen Systems......76
Figure 13 Quasi-Chemical Solution

Predictions for Metal-Carbon Systems...82
Figure 14 Quasi-Chemical Solution

Predictions for Metal-Oxygen Systems...83
Figure 15 Surface Tension Theory

Predictions for Metal-Carbon Systems...84
Figure 16 Surface Tension Theory

Predictions for Metal-Oxygen Systems...85

Figure 17 Electrochemical Cell...........................289

iiii

INTRODUCTION

This report derives predictive correlations for activity and
solubility of carbon, hydrogen, nitrogen, and oxygen in pure liquid
metals. Four theories are considered as starting points. Experimental
data are then used to generate correlations relating the free parameter
in each theory to physical quantities. The theory with the best
predictive ability is determined by comparing predictions to
experimental data.

The theories under consideration are: the interaction energy
theory of Lee and Johnson (51), the regular solution theory of
Hilderbrand (28), the quasi-chemical solution theory of Guggenhiem
(25), and a surface tension theory of the authors.

Correlations from Lee and Johnson’s interaction energy theory
predict the solute solubility ratio. i.e. atom fraction I pressure.
Correlations from the regular solution and quasi-chemical solution
theories predict the solute activity coefficient. Correlations from
the surface tension theory predict the solute maximum solubility. Of
course, the activity coefficient and maximum solubility are
interrelated, For carbon, hydrogen, nitrogen, and oxygen in pure
liquid metals the solute activity equals the reciprocal of the solute
maximum solubility. Also, at these concentrations, the dissociation
pressure equals that for a pure compound.

The solubility data used here represents the entire contents of
the three volumes of ”Constitution of Binary Phase Diagrams”, the two

volumes of ”The Handbook of Binary Phase Diagrams”, Chemical Abstracts

2
from 1900 through 1983, and the Metals Abstracts through 1983.

The Regular Solution Theory

The regular solution theory was developed by Hilderbrand (28).
The derivation presented is based on work found in a book by Lupis
(57).
The lattice energy (E) of a mixture of A and B can be modeled as

the sum of binary interactions energies:

H1) E - NaaUaa + NbbUbb + NabUab

Where Naa, Nbb, and Nab are the number of A-A, B-B, and A-B
interactions. Uaa, Ubb, and Uab are the energies of said interactions.

The total number of interactions involving an A particles is:

H2) ZaNa 8 2Naa + Nab

Where 2a is the coordination number, or number of nearest neighbors, of
an A particle. Na is the number of A particles in solution. The
multiplication of Naa by two in equation H2 arises from A-A pairs being
counted twice, once for each A particle involved.

Similarly for 8 particles:

H3) ZbNb - 2Nbb + Nab

Combining equations H1, HZ, and 33 to eliminate Naa and Nbb:

HA) E - ZaNaUaa/Z + ZbNbUbb/Z + Nab(Uab - Uaa/Z - Ubb/2)

The factors ZaNaUaa/Z and ZbNbUbb/Z can be modeled as the energy
of pure A and B. The factors are thus replaced by Ea and Eb.

Replacing (Uab - Use/2 - Ubb/2) with the Uab, equation H4 becomes:

H5) E = Ea + Eb + NabWab

Degeneracy is the number of configurations a system can occupy

at an energy level. The degeneracy of randomly positioned particles is

given by Denbigh (16):

86) g - N! INale!

5
Where N is the total number of particles in solution.

The probability that an arbitrary site will be occupied by an A
particle is the mole fraction of A; Xa. The probability that a B
particle will occupy an adjacent site is simlilarly Xb. The
probability that both occupations will occur at the same time is XaXb.
Since the molecules can be placed A-B or B-A, the probability that the
two adjacent sites can be occupied by an A and B particle is 2XaXb.
Multiplying by the total number of pairs yields the number of A-B

pairs:

Nab - 1/2 (ZaNa + ZbNb) * ZXaXb

If the coordination numbers of A and B particles are assumed

equal:

H7) Nah I ZNaNb/N

The partition fuction of a system is (Denbigh (1.6)):

“L
H8) Q - qa qfim exp (-Ei / kT)

Where Q is the patition function of the entire system. qa and qb are
the partition functions of the individual A and B particles. gi and E1
are the degeneracy and energy of the system at energy level i. k and T
are Bolztmans constant and temperature.

The summation in equation H8 is over all possible energy levels.
Under the regular solution theory, the system is confined to one state,
the random one. Thus it is also confined to one energy level. The
summation in equation H8 can thus be removed. Combining the resulting

equation H8 with equations H7, H6, and H5:

H9) Q - (N! / Nale!) ng qr” exp [ -(Ea + Eb + ZNaNbWab/N) / kT]

From statistical thermodynamics:

G = ~lenQ

Thus:

7
H10) G - -kT In (N! / NaiNb!) + Ea + Eb + ZNaNbWab / N + Na 1n qa +

Nb 1n qb

If the terms in equation H10 which refer to the pure substances

are removed, the free energy of mixing results:

H11) c“ - -kT In (N! / NaiNb!) + ZNaNbWab/N + Na 1n qa + Nb 1n qb

Using the result that lnX! a Xlnx - X

G“ - kT (Na 1n Na - Na + Nb 1n Nb - Nb - N ln N + N)

+ ZNaNbWab/N + Na ln qa + Nb ln qb

H12) cM - kT (Na ln Xa + Nb 1n Xb) + ZNaNbWab/N + Na 1n qa + Nb 1n qb

Changing equation H12 to a per mole basis:

313) c: - RT (Xa 1n Xa + Xb ln Xb) + ZXaXbWab + Xa 1n qa + Xb 1n qb

8
If the terms in equation H13 which relate to the ideal solution are

removed, the excess free energy of mixing results:

1114) G: - ZWabXaXb

Partial molar qauntities can be calculated from mixture molar

quantities (Denbigh (16)):

H15) Ya - Ym + (1 - Xa) (de / an)

Where Ym is a molar quantity of the mixture, and Ya is a partial molar

quantity of susbstance A. The partial excess molar free energy of A

is:
f 6
H16) c, - cm + (1 - Xa) (do; / an)
- ZWabXa (1 - Xa) + (1 - Xa) (ZWab - ZZWabXa)
2.
=- ZWab (1 - 2Xa + Xa)
1
H17) G 3 ZNabXb

Partial molar excess free energy can be related to the activity

coefficient (Lupis (57)):

E
H18) sa- kT 1n 1 a

Where Xb is the activity coefficent of A. Combining equations H17 and

H18:

1119) In Ya - zwabx: / kT

Calculation Scheme

Equation H19 of the derivation reads:

10

H20) 1n Xa - zwabxfi / kT

Where Ya is the activity coefficient of the solute. z is the
coordination number or number of next nearest neighbors of the solute.
Xb is the concentration of the solvent. T is temperature. k is
Boltzmans constant. Wab is the change in pair wise interaction

energies for the reaction:

H21) 1/2 A-A + 1/2 B-B 3 A-B

Equation H20 can be solved for Wab:

1122) Wab =- RT 1n Ya / x: z

Note that the ideal gas law constant R, has been substituted for k in
equation H22. This changes the units of Wab to energy per mole.

Xa, Xb, and T are available from experimental data. The
reference state for the activity coefficient; Xa, of the regular
solution theory is set by equation H20. As the concentration of the
solvent; Xb, goes zero, the solute activity coefficient goes to one.

The coordination number of the solute; Z, is a function of the

ll
solvent-solute lattice structure. Data on the structure of individual
solvnet-solute lattice were not analyzed. 2 was assumed a constant for
each solute. The coordination numbers used: oxygen six, nitrogen six,

carbon four, and hydrogen one.

Discussion

System energies are modeled as due to the interaction energies
of pairs (equation H1 and H5). The scheme ignores the effect of next
nearest neighbors on particle interactions. This calculation scheme is
lacking for liquid metal systems where electron delocalization is the
rule.

The degeneracy is defined as being calculated from an assumption
of randomly distributed particles (equation H6). For this assumption
to hold the interaction energies of solute-solute, solute-solvent, and
solvent-solvent pairs should be of the same order. Also, the solvent
and solute should occupy the same lattice positions, thus they should
be of the same size. The solvent and solute must also have the same
coordination number (equation H7), this requirement puts more need on

the solvent and solute of having the same size.

Quasi-Chemical Solution Derivation

The quasi-chemical solution theory was developed by Guggenhiem
(25). The derivation presented is based on work found in Lupis (57).

The quasi-chemical solution theory is simlilar to the regular
solution theory presentd in the previous sections. Both were designed
for binary solutions. For a solution of A and B, equations H1 through
H4 of the regular soultion theory devlopement are valid for the quasi-
chemical solution devlopement.

The developements split when defining degeneracy. The
degeneracy of the regular solution is based on an assumption of
randomly positioned particles. The degeneracy of the quasi-chemical
solution is based on an assumption of randomly postion pairs. The

degeneracy of the quasi- chemical solution can thus be expressed:

GI) gi - 1/2 ZN! / (Naa! Nbb! [(Nab/2)!]z)

Where N, Naa, Nbb, and Nab are the number A and B particles, A-A pairs,
B-B pairs, and A-B pairs respectively. 2 is the coordination number of
A and B particles. The term [(Nab/Z)!] squared arise from the
distinguishability of A-B and B-A pairings.

Equation H1 over estimates the degeneracy as all pairs are not
independent. If an A-A pair is adjacent to a B-B pair, two A-B pairs
are necessarily produced. To account for this over counting, the

factor h is introduced:

12

13

62) g - hgi

Where h is calculated by use of the degeneracy of a random arrangement.

This is expressed by equation H6 of the regular solution derivation:

G3 {go - N! / NaiNb!

a h a» 1/2 ZN! / (Nada: Ngb! [(NaB/Z)!]2 )

Where the superscript o designates values predicted by regular solution

model. Solving equation G3 for h, and then using this value of h in

equation 82 yields:

 

7.
Naoaiwb°b1C(Maob /23l]__ * ’U!
4 =1 ___._.
G) 9 was! «1..., r. cw.» /2.>I,]2‘ uaz M!

The second group of terms on the right side of equation 64 is

the regular solution theory degeneracy, which assumes a solution of

14
randomly positioned particles. The first factor on the right side of
equation 64 can be then be thought of as a correction factor. Using
equation H3 of the regular solution derivation, equation 64 trnasforms

to:

(Web. - Va Mai)‘. (Vaéwb- Va “ab 3!

6!: I I / |*
(l/gztUa-Va.Uab).(/21Nb'/a Nab).

 

65)

[(NJ ANI—

[(Mah/Z)!]z Ma! Mb,

 

As seen in the regular solution theory the free energy of a

system is given by:

66) G - -kT ln(g exp(-E/kT))

Where E is the energy of the system, k is Bolztmans constanst, and T is
temperature. Using equation H1 of the regular solution theory

developement with equation 66 yields:

15

67) 6 =- -kT 1n 2g exp ( -(Ea + Eb - NabWab) / kT)

Removing the terms in equation 67 which relate to the pure substances

results in the free energy of mixing:

M

68) G = -kT In fig exp (-NabWab / RT)

The summation in equation 68 can be replaced by the maximum term
of the summation. The maximum term is found from the derivative

equation:

69) d (3 exp (-NabWab / kT)) / d Nab) - 0

0r equivalently:

610) d (ln g - NabWab / kT) I d Nab - 0

g is defined by equation 65. In taking the derivative of g in

16

equation 610 only terms which are a function of Nab need be retained:

611) d ( -1n ((1/22Na - 1/2Nab)!) - 1n ((1/22Nb -

l/2Nab)!) - 21n ((Nab/Z)!) - NabWab/RT ) l d Nab - 0

Using the result that: d(lnX!) = d(XlnX - X) = lnx dX

1/2 In (l/2ZNa - 1/22Nab) +

1/21n (l/ZZNb - 1/2Nab) - 1n (1/2Nab) - Wab/RT = O

(:12) (1/2Nab)7' / NaaNabb - exp (-2Wab / kT)

Note that the left side if equation 612 defines the equilibrium

constant for the reaction:

613) AA + BB 8 AB + BA

Thus:

17

614) (1/2Nab)z / NaaNbb - K - exp (-de16 / RT) - exp (-2Wab / kT)

Where de16 is the free energy of the reaction in equation 613. From

equation 614, Wab and delG can be related:

615) de16 / R - 2Wab / k

Equation 612 can then be written:

616) (1/2Nab) I ( (1/22Na - 1/2Nab)(1/22Nb - l/2Nab) ) =

exp (-2Wab / kT)

Or:

617) LNab” + ZNabN + 2‘ NabNb .. 0

Where L - exp(ZWab/kT) - 1. Applying the quadratic formula to equation

618 yields the roots:

18

618) Root 8 ZN / 2L * (‘1 + (1 + 4LXaXb)M1 )

Note only the positive root has been retained. A negative root would
yield a negative value of Nab, which would have no physical meaning.

The square root function is approximated by:

I
619) (1+x)/2 -1+xl2+x2‘/8+.....

Equation 618 thus becomes:

Root - Nab - ZN I 2L * (-l + (l + 4LXaXb/2 -

161.2 Xa‘ sz l8))

620) Nah I ZNaNb/N * (1 - 1XaXb)

Equation 620 discribes the value of Nab which will yield the
maximum value of the expression g exp(-NabWab/kT) in equation 68.
ZNaNb/N is the number of A-B pairs as predicted by the regular solution

theory (equation H7 of the regular solution theory developement).

Equation 620 can thus be written:

19

(:21) Nab =- Nab" (1 - LXaXb)

Where Ngb is the number of A-B pairs as predicted by the regular
solution theory.

From equation 621 is is seen that if L is positive Nab is
greater than NAB. For L to be positive, Wab and in turn delG, must be
positve. Thus if the reaction to form A-B pairs from A-A pairs and B-B
pairs is exothermic, the number of A-B pairs predicted by the
quasi-chemical theory is greater than the number predicted by the
regualr solution theory.

Equation 620 can be substituted in equation 64 to obtain a new
expression for g. After long calculations, the excess free energy

results:

622) c'E / kT - l/ZZXb 1n (1 + L) + 1/22Lsz

+ 1/22L2Xb1- 21.2 (1/4 + 5/3L) x1;I

Using equation H14 of the regular solution theory:

a
623) of . a: + (1 - Xa) dam / an

20

Since d(Xa) - d(l-Xb) a -d(Xb) equation 623 transform to:

E E E
(:24) Ga. - cm -Xb dGm Ide

Equation 622) thus yeilds:

625) 1n Ya - of / RT -

1/2z1.xb1 - 21.sz + 3/4zL’Xb" (1 + 20/31.)

Calculation Scheme

Equation 625 of the derivation reads:

2-
626) In X3 = 1/22LXb - z1."x1>a + 3/azL‘Xb" (1 + 20/31.)

21

Where 35 is the activity coefficient of the solute. Xb is the solvent

concentration. z is the solute coordination number. L is defined:

627) L - exp (2Wab / kT) - 1

Where k is Boltzmans constant. T is temperature. Wab is defined in
the same manner as for the regular solution theory. k can be repaced
with the ideal gas law constant. This will make the units of Wab
energy per mole.

Equation 626 can be written:

628) 5211b”? + (3/4211b" - zx§)L"+ 1/22szL - 1n xa = o

Xb and X a can be obtained from experimental data. 2 is assumed
constant (see regualr solution theory calculation scheme). Equation
628 can be solved for L by using synthetic devision. L can be used in
equation 627 to calculate Wab.

The reference state for the activity coefficient for the
quasi-chemical theory is defined by equation 626. As the concetration
of the solvent goes to zero the activity coefficient of the solute goes

to one o

22

Discussion

As in the regular solution theory, the quasi-chemical solution
theory models system energies as due to first order interaction
energies (equations H1 and H5 of the regular solution derivation). The
effect of next nearest neighbors on interaction energies is ignored.

The degeneracy of the quasi-chemical solution is defined as
being calculated from the assumption of a solution of randomly
distrubited pairs (equation 61). This scheme allows for preferred
pairs. The interaction energies of the solute-solute, solute-solvent,
and solvent-solvent do not have to be of the same order.

But the solvent and solute should be of the same size. Equation
61 requires that the solvent and solute have the same coordination

number.

Lee and Johnson Theory Developement
The following is based on work found in Lee (51).

The chemical potential of a solute particle is given by (Fowler

(22)):

1.1) /. - - 5/51 - RT 1119? + kT 1n (Ns/V)

Where /ak[, 7g , and Z? are the chemical porential, potential energy,
and total partition function of the solute. Note that 2% has a
reference value of zero in the gas state. V is the volume of solution;
N5 is the number of solute particles; k is the boltzman constant; and T

is the absolute temperature. Note that:

L2) Ns / V - # of solute molecules / volume of solution

Ns / V . # of solute molecules / # solution molecules

* average molecular volume of solution molecules

Ns/V-Xs/V'avesoln

23

24
Assuming that the average molecular volume of all solution

molecules is equal to the molecular volume of solvent molecules fifl):

L3) Ha I v - X8 / v'l

The chemical potential can be modeled:

1.4) W; =Ed+W(r)+g

Where Ed is the work of discharging the interaction energies of the
solute molecule when removed from the gas phase. W(r) is the energy
required to create a hole in the pure solvent. g is the energy
required to put the solute in the hole. The solute and solvent are
modeled as not interacting; g is zero.

Ed is modeled:

L5) Ed - Ei + p delV

Where E1 is the reversable work of disharging the interaction energies

of the solute molecule in the gas phase. p delV is the work required

25
to change the volume of the solute molecule on going from gas state to
a liquid state.
E1 is modeled using the dispersive portion of the Lennard-Jones

(6-12) potential energy function:
6 6
L6) Ei - 463 as Z-(l/r)

Where Es is the maximum energy of dispersion betweeen gas molecules.
as is the collision diameter of the solute gas molecule. r is the
radial distance between molecules. Summing over all molecules,

equation L6 becomes:
00

L7) Ei =- 453 ase 5 (4111'?er dr / r6)
05

Where 98 is the density of the solute in the gas phase. Integration

yields:
L8) E1 = -(16/3)11 68 as6 ()8

The second factor on the right side of equation L5 is given by:

26

L9) p delV - p (4 Tress/3 - T‘s)

Where VB is the molecular volume of the solute molecule in the gas
phase.

Combining equations L9, L8, and L5:

L10) Ed =- (-l6/3)‘W€s aszgs + p (411'883/3 - V's)

Using the ideal gas law to transform equation L10:

1.11) Ed =- -16‘n'Es 882 p / (3111*) + 4uaa’p / 3 - kT

Riess (90) models W(r) of equation L4:

L12) d(N(r)) - p4-rrr1dr + €8n’dr

27

Where p is pressure, r is the radius if the cavity created, and 4213

the surface tension of the solvent. The first term on the right side
of equation L12 is the work of expanding the cavity. The second term
on the right is the work done in overcoming the surface tension of the

solvent in creating the cavity. Intergrating:

L13) W(r) = (4/3)flrtp + 477'r2G’

To account for curvature on surface tension, a film thickness

parameter (5 ) must be added to L13:

1.14) W(r) - (4/3)7rr7'p + 41714.9(1 - (2 5/1»)

Film thickness parameters are difficult to measure or model. This
reduces the usefulness of equation L14 for this work. The film
thickness paramater will not be used in this work. Reiss (90)

references developement of the film thickness parameter.

Reiss (92) in another work states that the probability of

creating a cavity of radius L; which does not contain the center of a

28

solvent molecule, is related to work required to create the cavity:

L15) RHO(L) I exp (-W(L) / kT)

Where RHO(L) is the probability of creating the cavity and W(L) is the
work required to create the cavity. For cavities of radius less than

or equal to of the radius of the solvent molecule, the pobability that
said cavity will contain the center of a solvent molecule is (4/3)flL39-
. Where L is the radius of the cavity and is the number density of
the solvent. It follows that the probability the cavity does not

contain the center of a solvent molecule is:

L16) RHO(L) - 1 - (4/3)-n L39

Combining equation L15 and L16:

1.17) 11(1.) = —kT ln (1 - (4/3)Trr39)

Equation L17 thus discribes the work required to create a cavity
of radius less than or equal to the radius of the solvent molecule.

This reduces the usefulness of equation L17.

29

Reiss (90) in another work models the factor W(r) by a

polynomial expansion:

L18) W(r) I K3r3 + K2r1 + Klr + K0

Comparison of equation L18 and L14 yeilds:

1.19) K3 - (4/3)rrp

Reiss then calculates the remaining constants of equation L18 by
comparing equations L17 and L18 and their derivatives at the point
where the radius of the cavity equal the radius of the solvent.

Comparing equations L17 and L18:

2 .3 3
L20) [(0 + Klal + K2a1 + [(331 I ~kT 1n (1 - 4ffal Q / 3)

Where a1 is the radius of the solvent molecule. Taking derivatives:

30

L21) K1 + 2K2a1 + 31(3a1z I

k: (1 / <1 - (Io/awe 1.13)) * meal”

L22) 2K2 + 6K331 I
kT { (1 .1 (l - (4/3)1TPa13)2) * 161I%a1q +
M961 * (1 / (1 - (Mame e113» }

With the simplifications:

L23A) K3 = 41Tp / 3

L233) y I 41Tpa13/ 3

Equation L23 transforms to:

2. 7.
124) K2 . (kT / 2a1 ) * { 9(y / (1 - y)) + 6y / (1 - y) } -
417pa1

Combining equations L21 and L23 with the aforementioned

31

simplifications:

1.25) K1 - (-kT / a1) * { 9(y I (1 -y))1+ 3y / (1 -y) 1+

41Tpa13

Similarly, equation L20 yields:

L26) K0 I -kT ln (1 - y) + kT (4.5 (y / (1 - y))2) - 4N'pa13 / 3

Combining equations L18, L24, L25, and L26:

1.27) W(r) - ~11 1n (1 - y) + 111 (4.5 (y / (1 - m“) - 4flpa13/ 3
(r/al)kr{9<y/ (1-y))“ +3y/(1-y) 1
(r / .1)“ 1.1 14.56 / (1 - y>>"‘+ 3y / <1 - yn

417pa12 r - 4flpa1r7‘ + (4/3)1rpr3

+

The radial measure terms (r and a) in equation L27 are of order
E-8. Thus the pressure (p) terms in equation L27 are of order E-20. y
is defined by equation L23B. The number density factor (9) is of order
E23. Thus y is of order E-l. The pressure terms in equation L27 can

thus be eliminated to yield:

32

W(r) I -kT 1n (1 - y) + 4.5kT (y / (1 - y))2
«r/H)U<9o/<1-wf+3y/u-yn

+(r / :11)"L kT (4.5 (y / (1 - y))“ + 3y l (1 - y))

Combining this short form of equation L27 with equations L1, L3,

L4, and L11 yields:

1? 1.
L28) l/V: I - kT ln (1 - y) + 4.5kT (y / (l - y))

4r/u>u<9w/(1-wf+3y/u-yn
«r/mfkrus<y/u-y»2+b/<1-w>
+ 16fl€s aszp / (3kT) + 47ras3p / 3 -kT

+ kT 1117; + kt ln (Xs lrl)

As in equation L27, the pressure terms in equation L28 can be
removed by unit analysis. Note that this simplification effectively

reduces equation L11 to:

L29) Ed I -kT

33

The chemical potential of a ideal gas molecule is given by

(Fowler (22)):

7
L30) #5 - -kT 1n Cf; + kT 1n (Ps / kT)

Where ‘g.is the partition function of a lone solute gas molecule. Note

that the term flis the same in equations L1, L29, and L30. P3 is the

partial pressure of the solute.

At equilibrium:

1.31) ,us.

Equations L30 and L28 combine to yield:

L32) ln (Ps / Xs) I -1n (1 - y) + 4.5 (y / (l - y))z - 1

+ln (RT [111)
-<r/a1) (9(y/(1-y))2+3y/(l-y))

2 2.
+(r/a1) (4.5(y/(1-y)) +3yl(1-y))

34
Where a1, V1 are the radius and molecular volume of the
solvent molecule
Ps, Xs are the partial pressure and mole fraction of the
of the solute
r is the sum of the solute and solvent radii

y is defined by equation L238

Calculation Scheme

In equation L32 Pa and X8 are the solute partial pressure and
concentration in the liquid solution. The term Ps/Xs has units of
pressure over atom fraction. Most experimentally measured solubilty
data is in units of pressure to the 0.5 power over atom fraction. When
the pressure equals one, the numerical vales of the ratios Ps/Xs and
square root (Ps) IXs are equal. It will be assumed that
experimentally measured solubility ratios used are valid at one
atmosphere pressure. In actuality, most experimental data was given at

one atmosphere.

35

With the following substitutions:

KH I Xs / Ps I Xs / (square root Ps) @ P8 = 1 atmosphere

D

equation

L32) 0

Equation

L33) 0

where A

=y/(1-y)

L31 transforms to:

- 1n (KH kT/ ( (1 - y) v1)) + 4.502- 1

- (r / a1) (902+ 30) + (r / 1.11)‘l (4.5024. 30)

L32 can be written:

Ar2+Br+C

(4.51)2 + 31)) / 811

- (902+ 30) / a1

1n (RH 112 / (1 - y) r1)) + 4.502- 1

36

Equation L33 can be solved for r by using the quadratic equation:

L34) r -a1 +a2 - (43:4 13’- -4Ac‘) / 2A

If the expression determinate in equation L34 is negative the roots are
imaginary. Since the roots represent r, which is a radial distance,

the determinate must be greater than or equal to zero:

L35) B - 4A6 20

01-: c 5 131/ 41c

0r: 1n (K11 111* / (1 - y) «’1» + 4.502- 1 .4.

{ (902+ 30)"/ 812} / { 4 (4.50211 30) / 1111]

1n (K11 'r) 5 (811)" + 5403 + 902) / (18D 1'1 120)

- 4.5D2+ 1 + 1n < (1 - y)rl / 1:)

L36) ln(KHT)S(9D+4)/(6D+4)+1n((1-y)V‘1/k)

37

D in equation L36 is defined:

L37) D - y / (1 - 3)

L38) y I (4/3)‘l"f'9a13

a1 and are the radius and the number density of the solvent. If the
solvent atoms are assumed spherical, the radius of the solvent can be

calculated from number density data:

V5
L39) al I (3 / (4779))

Combining equations L39 and L38 yields a value of y of one. This is
unacceptable; if y equals one, equation L38 predicts a value of D of
one over zero. To avoid this problem a packing fraction parameter is

added to equation L39:

“3
L40) a1 - (31111 / Cure»

38
Where PF is the fraction of space that the solvent atoms occupy in the
solvent lattice. Combining equations L40 and L38 shows that y equals

the packing fraction PF. Equation L36 modifies to:

L41) 1n (K11 T) S (SPF + 4) / (211* + 4) + 1n ( (1- PF) (r1 / k) )

The factor (Fl/k, the solvent molecular volume devided by Boltzmans
constant, is equal to Vm/R, the molor volume devided by the ideal gas

law constant. This substitution modifies equation L41 to:

L42) 1n (RH T)‘£-(5PF + 4) / (ZPF + 4) + 1n ( (1 - PF) Vm / 82.05) )

Note that the units of Vm in the equation above is neccesarily cubic
centimeters per gram mole, due to the value of the ideal gas constant,
R, used.

The molor volume of liquid metals is between 1 and 200.
Substituting these boundary conditions in equation L43; with PF equal

0.6, yields:

L43A) 1n (KH T).£ -3.3964 . at Vm I l

39

L43B) 111 (K11 '1) 5 1.9019 at Vm - 200

Solving for KH in equation L43B yields:

L44) K11 5 6.699 / T

This sets a limit on the effectiveness of the Lee and Johnson theory;
for the calculation scheme used. An upper limit on the range of
effectiveness of the calculation scheme used can be obtained by
maximizing both terms of equation L43. The first term on the right
side of equation L43 has a maximum value of 1.8 at PF equals one. The
second term on the right side of equationb L43 has a maximum value of
0.8910 at PF equal zero and Vm equals 200. Using both maximum values
together yeilds an upper limit on the values of RH that are valid with

the calculation scheme derived:

L45) KH $14.746 / T

If equation L45 is followed by the experimental data, equation

L35 can be used to calculate the radius of the solute atom.

40

Discussion

There are three noticable assumptions in the Lee & Johnson
theory: 1) the average molecular volume of all solution molecules is
equal to the molecular volume of the solvent molecules; 2) the
attraction energies of the molecules in the gas phase are
insignificant; 3) solute-solvent interactions in the liquid phase are
insignificant.

For the solution average molecular volume to be equal to the
solvent molecular volume requires that the solute concentration is
dilute or that the solvent and solute are of the same relative size.

The neglection of the attractive energies of the gas molecule in
equation L6 of the Lee and Campbell theory derivation is not serious.
Including the factor would generate more pressure terms in equation L26
of the derivation. Pressure terms are cancelled out of equation L26 by
a unit analysis.

The neglection of interaction energies of the solute and solvent

41

in the liquid solution is the source of largest error. The factor g
in equation L4 of the Lee and Campbell theory repesents solvent-solute
interaction energies. If g was not assumed zero in equation L4, it
would next show up on the right side of equation L28. Then g would
appear in the equation L32, again on the right side of the equation.
Assuming that g would be a constant, g would appear next in the
expression for C in equation L33 above. Next g would appear in on
the right side of equation L36. It would appear as (-g). For organic
solutes and metals, interaction would be exothermic. Energies would
negtive. Thus the factor ln(KH T) would be less limited by equation
L36. This would expand the range of validity of the Lee and Johnson

theory under the calculation scheme used.

Emi and Pehlke Theory Developement

The following derivation is based on work found in Emi (79, 82).
This model is similar to the Lee and Johnson theory of the previous
section.

The chemical potential (f!) of a gas atom is given by:

1:1) flf- (1/2)/Jf+ xa / (211)

I (1I2) d (-kT 1n (quII N!)) @ constant T, V +

Xd I (2kT)

Where flu and/.4, are the chemical potential of the gas atom and
molecule. Xd is the dissociation energy of the diatomic gas. qa is
the total partition function for a system of N gas molecules. k is
Boltzmans constant and T is temperature.

Using the result lnX! I Xlnx - X, equation E1 reduces to:
9'
E2) l/Ub. I - (1n qa - ln N) kT I 2 + Xd I (2kT)
The partition function of a gas molecule can be expressed in by

the following (Rushbrooke (94)):

42

43

E3) q I (P.F.)trans * (P.F.)rot * (P.F.)vib * (P.F.)elec

Where q is the total partition function. (P.F.)trans, (P.F)rot, and
(P.F.)vib are the partition function of the translational, rotational,
and vibrational motions of the molecule. (P.F.)elec is the partition

function due to electronic permeations. They can be expressed:

a
A
./

E4A) (P.F.)trans (21f ka) 1V I (fiha)

1:413) (P.F.)rot 8TerkT / 112

24c) (P.F.)vib 1 / (1 - exp (-h 0/ (kT)) )

E4D) (P.F.)elec We 62/ 6’

Where 0' is a symmetry factor, two for homonuclear molecules and one for
hetronumclear molecules. M, I, and 0 are the mass, moment of inertia,

and frequency of the molecule. We is the degeneracy of the molecule in
its electronic ground state. E‘is the spin degeneracy of the molecule.

is a second symmetry factor of the molecule. T is temperature. V is

44
the volume of the system. h and k are Plank’s and Boltzman’s
constants.

The moment of inertia for a diatomic molecule is given by

(Rushbrooke (94)):

2.
E5) I I mamb I (ma + mb) * rd

Where ma and mb are the mass of the atoms of the diatomic molecule. rd
is the radius seperation of minimum potential energy. The factor rd is
obtainable directly from Lennard-Jones 6-12 data.

A diatomic molecule can be modeled as two weights (atoms)
attached by springs to a fixed center point. The frequency of
vibration in equation 46 is then the classical frequency of a harmonic

oscillator:

E6) 0 I square root (k I m) I 211'

Where m is the mass of the vibrating atom and k is the spring force
constant. A possible technique for obtaining a value for k would be
to use the Lennard-Jone 6-12 potential energy equation and plot the
potential energy at different radial seperations. A force constant
could then be worked out. For more accuracy the speed of the atom

could be used to take into account energy used to change the kinetic

45

energy of the molecule.

The chemical potential of a solute in a dilute solution is given

by (Guggenhiem (25)):
1 3/1 3
1:7) /u, - — 4,7, - kT 16 ( (2mm) / h ) + kT 1n (N/V)

Where ‘fl, is the potential energy of the solute. N is the number of
solute molecules. m is the mass of the solute molecule. V is the
system volume.

The aproximation:
E8) N / V I Xs Iv'l I Xs Navo dm

was discussed in the derivation of the Lee and Johnson theory. X3 is
the mole fraction of the solute. (F1 and dm are the molecular volume
and molar density of the solvent. Navo is Avogadro’s number.

The potential energy of the solute can be modeled:

46

1:9) - 4,91 - gi + 0(1)

Where gi is the energy of interaction between solute and solvent
molecule. Emi (79, 82) assumes these to be zero. The factor W(r) is
the energy required to create a cavity in the solvent. W(r) is modeled
in the same manner as in the Lee and Johnson theory, using the work of
Reiss. Note that equation E10 does not include any factor to account
for the dispelling of interaction energies of the solute in the gas
phase. This factor was accounted for in the Lee and Campbell theory

development.

At equilibrium:

fl 9
E10) fl 0. :: / 0-

Combining equations E2, E3, E4A, E48, E46, E4D, E7, E8, and E9 with the

following simplications;

47

36. 3
(2-rr1nk'1‘) / 11

RI
I

'i - 811111 / b1L
5 - 1 / (1 - exp (~h9/ (11))
a? I We (EI X

yeilds the expression

1:11) W(r) - 11 (in ‘K + (3/2) In 1) + 11 la (Xs Navo dm) =-
- (11/2) (lnR - 1116+ (5/2) 1n 1 + 1111' +

11171.46? + 1n (VIN) ) + Xd / (211)

Equations E11 simplifies:

1:12) In X8 =- -W(r) / (11;) + (1/2) In (153/ (TEENavo mm +

In T I 4 - 1n (NIV) I 2 + Xd I (2kT)

From the ideal gas law N/V I PIkT. Using this result:

48

1:13) 1n (Xs / Psvz) .. (1/2) In (R 0'/ (i3 5 Navo dm 1?: k) ) -

(W(r) - Xd / 2) / (kT)

For a monatomic molecule Xd is zero and the rotational and
vibrational partition functions; equations E48 and E46, are one. Thus

equation E13 is modified to:

E14) ln (Xs / Ps) I (1I2) In (R G‘I (é Navo dm Tz k2) -

W(r) / (kT)

Surface Tension Theory DeveIOpement

The chemical potential of a solute can be expressed:

K-
81) /Ja I/Ua + RT 1n a

Where /wa and [Mg‘are the absolute and reference chemical potentials of
the solute. a is the activity of the solute. R and T are the ideal
gas law constant and temperature.
3

,ua is defined by choosing a state, a certain temperature,
pressure, etc., to be the reference or standard state. Figure Bl shows
a posible graph of solute chemical potential vs solubility (Xa). The
dashed line on Figure Bl is the tangent to the curve at zero solute
concentration. Where the dashed line intersects the Xa I 1 axis

¥
defines the reference state jia.

1:1 3 u.r e: E31.

 

 

 

solute /fl:
Chemical} ' //
Potential i, f/ , ”

f”, / o
r” E
xa-o XQ=1
£3c>111112

Cancn+PafioN

49

50

The standard state (L4:) obtained from extrapolation in Figure
81 refers to a pure solution of solute, but with the solute molecules
in the same configuration as when in an infinitly dilute solution.
This is an hypothetical state.

At low solute concentrations the curve of solute chemical
potential vs concentration follows the dashed line use to find /u:1 In

this region the solute chemical potential is given by:

*
82) fla I/Ua + RT 1n Xa

Where Xa is the solute concentration. If equation 82 is followed up to

the maximum concentration of the solute:

max 46
B3) /A4a I /A(a + RT 1n Xmax

max
Where [Its is the chemical potential of the solute at its maximum
solubility while Xmax is that maximum solubility.
At maximum solubility the solute is in equilibrium with its

vapor and with its precipitate. Thus:

51

Where/Man is the chemical potential of the solute in its precipitate.

Chemical potential can be expressed in terms of moler enthalpy

and entropy:

X -w U
85)/.( Ih-Ts ;/.LIh-Ts

Where h is moler enthalpy and s is moler entrapy. Combining equations

83, B4, and 85:

Inax *1 a' -*
86) RT lnXmaxI As -,L(a I [la-Iota

* D *
I hU - h - T (s - s )

The term (sU - s") in equation 86 is the change in entropic
energy of the solute on going from the reference state to a
precipitate. If entropic energies are modeled as due to random motion
in a box, any change in entropic energy is equivalent to changing the
size of the box. Box size would be dictated by the molecules
sorrondings. The surrondings of the solute in the reference state

woulb be solvent molecules, since the reference state is extrapolated

52
from an infinitly dilute solution. For solutions of non metals
dissolved in liquid metals the liquid metal solvent will carry positive
charge due to electron delocalization; the non metal solute will carry
a negative charge for the same reason. Thus the size of the box
occupied by the solute in the reference state solution would be small.
The size of the box occupied by the solute in a solid precipitate will
also be small. If we assume the box sizes are of the same order, the
term (sEr - a“ ) becomes zero. Note that the random motion in a box
model of entropy ignores the effect of degeneracy. The solute in
liquid solution has freedom of movement and can occupy more positions.
The solute in the precipitate is locked into a lattice. Thus sI‘should
be larger than 3*, with a corresponding increase in Xmax.

Enthalpic energy can be modeled as an intrinsic portion to
temperature and pressure only plus an external portion due to
interactions with surrondings. These interactions can in turn be
modeled as surface tension interactions between adjacent non-bounded
molecules and bond energies of bonded atoms. Thus the enthalpy of the

solute in the precipitate is:

a a
87) h I SA Navo [6's - B’al + E0 + hint

Where hint is the intrinsic energy of the solute. Et’is the bond
energy of any complex formed involving the solute. 0’ a and 19’s are the
surface tension of the solute and of the solute surrondings. SA is the

surface area of solute exposed to the surrondings. Navo is Avogodro’s

53
number.

The solute will precipitate as a pure crystal or as a
solute-solvent complex. In the former the solute surrondings is other
solute atoms. Thus the term (6's - 19’s) is zero. If the precipitate
is a solute-solvent complex the term (196 - tin) can be again be
assumed zero. Surface tension between bonded atom are defined as zero
and surface tension between solute-solvent complexes is assmumed zero.

Thus for pure or hetro solute precipitates:

c: n
as) h - 1:m + 11111:

The enthalpy of the solute in the reference state can be

written:

11 «- 4-
89) h ISANavol0'b-5'aI-I-E +hint

Where <9 b and 6’s are the surface tension of the solvent and solute. 8*

is the bond energy of any complex formed involving the solute. hint is
the intrinsic energy of the solute. SA is the surface area of solute
exposed to solvent particles. Combining equations 89, 88, and 86

yields:

54

*’ U
810) -RTlnXmaxISANavo IO'b- 0‘s] +E -E

Note that hint has droped out of equation 810. This is because it is
the internal energy of the solute atom, dependent only on temperature

and pressure.

Calculation Scheme

Equation 810 of the derivation reads:

1»
1311) - RT ln Xmax . SA Navo | (2b - 29'a| + 1: - 11

Xmax is the maximum solubility of the solute. 3b is the
surface tension of the solvent, obtainable from the CRC Handbook of
Chemistry and Physics (page F25). (9’ a is the surface tension of the
solute. T is temperature. R and Navo are the ideal gas law constant
and avogodro’s number. SA is the surface area of the solute which is
touched by solvent particles which the solute in question is not bonded

to. EU and 12* are the change in enthalphic energy of the solute on

55
going from an unassociated solute atom to a solvent-solute complex in
the solid precipitate and in the liquid solution respectively.

Equation 813 shows two free flaoting parameters: the surface
area term SA and the surface tension of the solute, (0a). The solute
surface tension will be assumed zero. This will allow calculation of
the surface area term SA

For organic-metal solution, the complex would be a organic-metal
complex. E a and 8*“ are thus the enthalphy of formation of the
organic-metal complex. Enthalphy of formation data is defined as an

energy that must be added to a system to create the complex. Thus:

0 ‘K‘
812) E I del Hf ; E I del Hf

Where del Hf is the enthalphy of formation of the organic-metal
complex.

del Hf data can be obtained from the CRC Handbook of Chemistry
and Physics (page D45 and D67). del Hf data for some systems was not

*-
found. For these systems E" and E were assumed zero.

Calculation Scheme #1

It is logical to assume that the complex formed by the solute

and solvent in the liquid solution is the same as the complex formed by

56
the solvent and solute in the solid precipitate. Thus the terms Eta
and EJ‘are equal. The solute can be modeled as existing in a

partially bounded state. This can be expressed mathamatically:

*-

- RT 1n Xmax - SA Navo | 67b| + FRAC * E” - 3

Or:

313) - 11 la Xmax . SA Navo | EYbI - (1 - FRAC) del 31

Where FRAC is the fractional existance of the solute in solution as the
organic-metal complex.
Equation 813 can be solved for the surface area of the solute

touched by solvent particles which the solute is not bonded to:

314) SA a (- RT 1n Xmax + (1 - FRAC) del Hf) / (Navo | 6Vbl)

If the solute is assumed spherical, the radius of the solute can be

calculated from the surface area:

57

315) SA - 4111-"1

V2
316) r - (SA/411’)

Where r is the radius of the solute atom in the liquid solution.
Note that the above derivation does not take into account that
the exposed surface area of the solute will be decreased by the

solute’s ”fractional” existence in a complex.

Calculation Scheme #2

Calculation scheme 2 ignores the bound energy factors in
equation 811. This is equivalent to calculation scheme one with FRAC

equal one. The resulting equation is:

817) - RT ln Xmax I SA Navo I fibl

Equation 817 can be solved for the surface area of the solute:

58

818) SA I - RT 1n Xmax I (Navo I O’bl)

Using equations 815 and 816 the results of equation 818 can be used to

calculate the radius of the solute atom in solution.

Discussion

In developement of equation 83 of the surface tension theory
development section, the activity of the solute is assumed equal to the
solubility of the solute over the entire solubility range of the
solute. It is important to note that this is not equivalent to
assuming an ideal solution. This assumption is equivalent to assuming
that the activity coefficient is constant over the entire solubility
range of the solute.

The acticity coefficient is a measure of the deviation from the
reference state. The reference state in turn is a set deviation from
the ideal state. Thus assuming that the activity coefficient is
constant assumes that the deviation of the solution from the ideal
state is constant, that the environment of the solute is constant over
the entire solubility range of the solute. At low solute concentration

this assumption seems valid. As the solute concentration rises, and

59
the solute paticles begin to affect each others environment, the
assumption of a constant activity coefficient is suspect.

The surface tension of the solute is assumed zero to allow
calculation of the surface area term SA (see equation 811 above). This
could be a significant error if the solute surface tension varies with
the solvent. The assumption was made to aid calculation.

The surface tension calculation scheme section shows how to
calculate the surface area of the solute from experimental data
(eqautions 814 and 818). Note that the areas defined by these
equations are the surface area of the solute touched by solvent
particles the solute is not bonded to. This area cannot be the entire
surface area of the solute. Picture a rack of pool balls just before
the break and a basket of apples. The objects rest against each other
at points. The apples would mash against each other, thus the apples
would have more area of contact than the pool balls. To model the
percentage of solute surface area that could be touched, one must
decide how soft the solute particles would be. This, combined with the
lattice structure of solution and the relative positioning of the
solvent and solute, would allow calculation the area of contact between
solute and solvent.

Equation 816 above should read:

r - (SA * 110111: / 1.11)":

Where MORE is the amount that the surface area supplied from the

60
surface tension theory should be increased to account for the fact that

the solute cannot be touched on all of its surface by other particles.

Correlations Found

Regular Solution Theory

Figures 1 through 4 show the attempts made at finding a
correlation involving Wab, the free parameter of the regular solution
theory. All of the graphs are weak, with the exception of the results
for carbon with transition metals in Figure 1. For carbon in pure

liquid transition metals Figure 1 predicts the correlation:

Wab I 0.98858 * T + 361.98

where T is temperature.

Quasi-Chemical Solution Theory

Figures 5 through 8 show the attempts made at finding a
correlation involving Wab, the free parameter of the quasi-chemical
solution theory. Figures 5 through 8 show that Wab correlates well with

temperature. The correlations predicted by Figures 5 through 8:

Wab I 0.38889 * T + 94.444

61

62

Wab I 0.34316 * T + 76.421

Wab I 0.49412 * T + 60.000

Wab I 0.33929 * T + 21.429

Where the equations are for carbon, oxygen, hydrogen, and nitrogen in
pure liquid metals respectively.

A natural question is why would a interaction parameter such as
Wab (defined by equation HS in the regular solution derivation section)
would have such a strong dependance on temperature. An interaction
energy parameter should be a function of the solute and the solvent.
Figures 5 through 8 suggest that Wab is a function of temperature

alone.

Lee and Johnson Theory

The Lee and Johnson theory was found to be unusable. The use of
experimental data in the calculations lead to the square root of a
negative number. See the Lee and Johnson theory derivation for more

complete explination.

63
Surface Tension Theory

Figures 9 through 12 show the attempts made at finding a
correlation involving the solute radius, the free parameter for the
surface tension theory. Figures 9 through 12 were generated from
surface tension calculation scheme two.

Figures 9 and 10 show that the surface tension calculation
scheme two predicts a solute radius for carbon and oxygen with
transition metals. It cannot be determined from Figures 11 and 12 if
surface tension theory will predict a solute radius for nitrogen and

hydrogen with transition metals. There is not enough data.

Surface tension calculation scheme one was found unusable. The
enthalpy of formation (del Hf) of the solute-solvent complex is an
input to the calculations (see equation 814 of the surface tension
theory derivation). del Hf is a large negative number for almost all

systems. The factor

- RT ln(Xmax) + FRAC * del Hf

is negative for almost all systems if FRAC is set to one. This
negative feeds into the calculations where a negative surface area
results from equation 814 .

Various values of FRAC were tried. Setting FRAC equal to 0.02
allowed all the experimental data to be mathamatically viable.

Unfortunetly this led to results that were worse than when the enthalpy

64
factor was not taken into account (surface tension theory calculation
scheme 2).
The enthalpy factor seems a logical inclusion in the derivation
of the surface tension model. A manner in which to include it in the
mathamatics of the surface tension model was not found in this

investigation.

Wab *E-Z Calories I gmole

65

 

 

 

W @
<::) Key:
0 - transition
D - non transition
?0
a???
1L0
(a

 

 

 

’1 17. - 2.0 28 ‘10

Temperature *E-2 Kelvin

Figure 1
Wab Predicted by the Regular Solution

Theory for Metal-Carbon Systems

Wab *E-2 Calories I gmole

30

60

40

.210

 

 

 

66

Key:

0 - transition

0 - non transition

1E?

 

 

 

 

 

 

 

 

 

 

 

‘1

 

 

/2 20 28

Temperature *E-2 Kelvin

Figure 2
Wab Predicted by the Regular Solution

Theory for Metal-Oxygen Systems

Wab *E-2 Calories I gmole

43'

470

;flO

 

67

Key:
0 - transition

C? - non transition

’0 /1/

Temperature *E—2 Kelvin

Figure 3

Wab Predicted by the Regular Solution

Theory for Metal-Hydrogen Systems

Wab *E-Z Calories / gmole

5'0

30

.70

 

68

Key:

0 - transition

:53 C1 - non transition

 

I7. .2 I 35

Temperature *E—2 Kelvin

Figure 4
Wab Predicted by the Regular Solution

Theory for Metal-Nitrogen Systems

Wab *8-2 Calories I gmole

69

' If Key: @

0 - transition

C1 - non transition @

/4/

/6>

 

 

 

I? 376’ 36

Temperature *E-Z Kelvin

Figure 5
Wab Predicted by the Quasi-Chemical Solution

Theory for Metal-Carbon Systems

Wab *E—2 Calories I gmole

7O

0 - transition (::)

U — non transition

/0

 

 

 

 

 

 

 

 

Cs
. /o 6719 ;?<>

Temperature *E-2 Kelvin

Figure 6
Wab Predicted by the Quasi-Chemical Solution

Theory for Metal-Oxygen Systems

Wab *E—2 Calories I gmole

71

I0 Key:
0 - transition

[3 - non transition

E

Na

 

 

 

 

;2 lo /3

Temperature *E-2 Kelvin

Figure 7
Wab Predicted by the Quasi-Chemical Solution

Theory for Metal-Hydrogen Systems

Wab *8-2 Calories I gmole

72

/0 Key:
0 - transition

U - non transition

 

 

1’ E]
(E

 

 

/;? 20 376’

Temperature *E—2 Kelvin

Figure 8
Wab Predicted by the Quasi-Chemical Solution

Theory for Metal-Nitrogen Systems

Temperature *E-2 Kelvin

4o

.30

:90

/C’

 

73

Key:

0 - transition

@ U - non transition

 

Ii
1

 

 

 

 

 

M
14. E 1001
/.0 /.8 137.6

Solute Radius Angstrom

Figure 9
Solute Radius Predicted by the Surface Tension

Theory for Metal-Carbon Systems

Temperature *E-Z Kelvin

‘28

.9/

 

M.

(:> Key:

6g:> O - transition

g C] - non transition

8

LEI IE3

 

 

19,8? /.9’ .910

Solute Radius Angstrom

Figure 10

Solute Radius Predicted by the Surface Tension

Theory for Metal-Oxygen Systems

Temperature *E-2 Kelvin

75

/3 (a Key:

0 - transition

;__
3'0 D - non transition

 

 

 

 

//.!

 

 

\

g
(:29

 

as /. 6 6716’

Solute Radius Angstrom

Figure 11
Solute Radius Predicted by the Surface Tension

Theory for Metal-Hydrogen Systems

Temperature *E—2 Kelvin

76

31 Key:

0 - transition

@ D - non transition

2+ @

 

 

 

 

 

 

 

 

 

5-1"
/?
w a;
L)
? // /5"

Solute Radius Angstrom

Figure 12
Solute Radius Predicted by the Surface Tension

Theory for Metal-Nitrogen Systems

Comparison of Theory Predictions

with Experimental Data

Surface Tension Theory

The surface tension theory showed the best predictive abilities
for carbon or oxygen with transition metals. The comparison of theory
predictions with experimental data is shown in Figures 15 and 16. The
systems in Figures 15 and 16 are examples of systems that showed good,
fair, or poor fits in Figures 9 and 10. carbon with cobalt and oxygen
with copper are example of good fit systems. The calculated maximum
solubility for these systems are off by a factor two and three
respectively. chromium with oxygen is an example of a fair fir system.
The calculated value is off by a factor of four. carbon with titanium
and oxygen with titanium are examples of poor fit systems. Their

calculated values are off by five and four hundred respectively.

Quasi-Chemical Solution Theory

The quasi-chemical solution theory showed the best results for
all other systems. The comparison of theory predictions with
experimental data is shown in Figures 13 and 14. The systems aluminum
with carbon, barium with oxygen, and copper with oxygen are examples of
systems which show good fits in Figures 5 and 6. They calculated
values of the activity coefficient are off by a factor of two for all

three systems. bismuth with carbon and antimony with oxygen are

79

80

examples of systems with fair fits in Figures 5 and 6. Their
calculated values are off by a factor of forty and twenty respectively.
Copper with carbon and nickel with oxygen are examples of systems with
poor fits in Figures 5 and 6. Their calculated values are off by a
factor of seven hundred and two hundred.

It is evident, from Figures 5, 6, 13, and 14 that small
deviations in Wab produce large deviations in the predicted values of
the activity coefficient. Example, the bismuth-carbon data entry at
1100 degrees Kelvin is only slightly off in Figure 5, but the predicted
activity coefficient is off by a factor of eighty. The reason for this
weakness can be seen by inspecting the key equaton for the

quasi-chemical theory, equation 625 of the quasi-chemical derivation:

2 4
(1) 1n Xa = (1/2) ZAXbZ- 211 1133 + (3/4) 21 Xb (1 + 201 / 3)

A - exp (2Wab / 11) - 1

Where (a is the solute activity coefficient. 2 is the solute
coordination number. R is the ideal gas law constant. T is
temperature.

For most systems the solubility of oxygen and carbon is small.
The solvent concentration (Xb) is close to one. Thus the activity

coefficient is mainly a function of Wab. Equation (1) shortens to:

81

(2) 1n a I K1 * exp (Wab I T) + K2 * (exp (Wab I T))2 +

K3 * (exp (Wab I T))a+ K0

Where K1, K2, K3, and K4 are constants at low solute concentrations.
Equation (2) explains why small deviations in Wab produce large

deviations in the activity coefficient.

ln (1 I Xmax)

la?

/0

 

82

Key:

0 - experimental

l/

C] - calculated \

B)

. < 1:)
\\ CHI
\ a (
\o ,3!
El ®\@

I

 

?' /€/ 97/

Temperature *E-2 Kelvin

Figure 13
Quasi-Chemical Solution Predictions for

Metal-Carbon Systems

ln (1 I Xmax)

Key:

/69
0 - experimental

U - calculated

7AY'

C

/

L‘\ <;
y/) {11
5b '
\Q a\\\ ‘(
\s

K.
‘1

 

 

/o /6 33

Temperature *E-2 Kelvin

Figure 14
Quasi-Chemical Solution Predictions for

Natal-Oxygen Systems

1n (1 / Xmax)

84
Key:
91.4

G O - experimental

D - calculated

 

 

3.6 \
\1
1
I 1
El
\\\\\ ’;'\
. c.74\.\ T" b
I E
2.0 1
E1

 

 

/i J/ 2%

Temperature *E-Z Kelvin

Figure 15
Surface Tension Theory Predictions for

Metal-Carbon Systems

1n (1 I Xmax)

85

Key:
/0 0 - experimental
[31- calculated
5157
N1
5.0 E\
(1.1
\‘\
(9“(/1‘ C)\\‘I\\\13 (:r
\\\\3
G
25 B \

 

 

81
‘1

[r 2.7

Temperature *E-2 Kelvin

Figure 16
Surface Tension Theory Predictions for

Metal-Oxygen Systems

Conclusions

The surface tension theory showed to be the best for the
isolated case of Carbon or Oxygen with transition metals. A logical
question is whether the surface tension theory will prove to be the
best for all solutes with transition metals. The amount of data for
Nitrogen and Hydrogen was insufficient to draw any conclusions.

The surface tension theory is the theory of choice for further
study. The results, unlike the quasi-chemical theories correlation of
temperature and interaction energy, makes sense. The solute should
have a radius in solution which is different than the radius the solute
has normally. This solution radius would be a function of the solvent
lattice, solvent-solute interaction energy, and the availability of
free electrons for the solute to absorb or possible lose. It is
logical that the solute radius in the transition metals showed such a
single value; the chemistry of the transition metals is very similar.
The results for the other periodic groups might be brought into shape

further work with energy factors 8* and ED .

The quasi-chemical solution theory proved to be the best theory
for all Systems other than Carbon or Oxygen with transition metals.
The correlations produced by the quasi-chemical theory are good, but
the theory does showsa weakness in using correaltion predicted free
parameter values to calculate the activity coefficient. The natural
log of the activity coefficient is a function of the exponential of the
free parameter.

Figures 5 through 8 show the correlation between

86

87
quais-chemical free parameter, a solute-solvent interaction energy
parameter Wab, and temperature. It is difficult to understand why Wab
would correlate so well with temperature. Energy of interaction
between the solvent and solute should be a function of solvent-solute
bond energy, the lattice energy of the solvent, and the type of lattice

the solvent forms.

The regular solution theory was surpassed in predictive abilty
for all systems by the surface tension theory or the quasi-chemical
theory. The regular solution theory did predict a valid correlation

for Carbon with transition metals.

The theory proposed by Lee and Johnson proved ineffective. But
it must be stressed that the theory is ineffective with the calculation
scheme used. See the Lee and Johnson theory derivation for a detailed

analysis.

A theory by Emi and Pehlke was developed but not critiqued
against experimental data. The theory requires data which was not
easily found or modeled. The theory looks good. It would be worth the

time to investigate it futher.

Carbon proved to a solute quite susceptable to modeling. In
each theories output it showed the best grouping. Possible this could
be due to Carbon being more like a metal than the other solutes.
Carbon systems would have simpler chemistry. If this analysis is true,

the theories, or there derivatives, should hold more closly for

me tal-metal systems .

88

VOLUME I I

APPENDICES

Appendix A Computer Code and Print Out

This appendix contains the computer code used and the raw
results generated by the the code. The computer used was an Apple 2e.

The language is Applesoft Basic.

Computer code inputs and outputs:
Lee and Johnson code.................................91
inputs - solvent radius (cm)
solvent density (gmole/cm**3)
temperature (degrees Kelvin)
solute solubility ratio
(atom fraction I atm ** (0.5)

output - solute radius (cm)

Regular solution and Quasi-chemical code.............94
inputs - solute coordination number
solute maximum solubility
(atol fraction)
temperature (degrees Kelvin)

output - interaction energy (cal/gmole)

Surface tension code.................................100
inputs - temperature (degrees Kelvin)
solute maximum solubility
(atOpm fraction)

89

Print outs:

Regular

Surface

90
solvent surface tension
(dyne/cm)

output - solute radius (cm)

and Quasi-chemical solution theories

Carbon.......................................105
Hydrogen.....................................132
Nitrogen.....................................l4l

oxygeUOOOOOOO00.0.0000...0.0.00.0000000000000148

tension theory

Carbon.......................................179
Hydrogen.....................................202
Nitrogen.....................................210

oxygenOOOOOOOOOOOOOO..0O00.0.0000000000000000216

91
]LIST 10-500

10 REM Lee and Johnson program

20 REM

30 REM VARAIBLE LIST

40 REM A - A........INTERNAL CONSTANT

50 REM 8 - 8........INTERNAL CONSTANT

60 REM C - C........INTERNAL CONSTANT

70 REM CH - CHK......USED FOR INTERNAL CHECK

80 REM D - D........INTERNAL CONSTANT

90 REM D3 - 03.......CONTROL CHARACTER

100 REM DE - DETR.....DETERMINATE OF QUADRATRIC

110 REM IS - IS.......INPUT FILE

120 REM KH - KH.......EXPERIMENTAL SOLUBILITY RATIO at frac / atm‘2
130 REM ME - MET......LOOP INDEX

140 REM MS - MS.......NAME OF METAL

150 REM NA - NAVO.....AV06ADROS NUMBER molecules I mole

160 REM ND - NDSET....NUMBER OF DATA SETS

170 REM NM - NMET.....NUM8ER OF METALS WHICH HAVE METAL FOR A SOLUTE
180 REM NP - NPNT.....NUM8ER OF DATA POINTS FOR A METAL-SOLUTE

190 REM PF - PF.......PACKIN6 FRACTION

200 REM PI - PI.......THE CONSTANT PI

210 REM PN - PNT......LOOP INDEX

220 REM OS - O$.......OUTPUT FILE

230 REM R6 - R6.......IDEAL GAS CONSTANT cm“3 - atm I gmole - degree K

240 REM RH - RHO......SOLVENT DENSITY mole / cm‘3
250 REM RS - RSOLV....RADIUS OF THE SOLVENT
260 REM R1 - R1.......POSSIBLE SOLUTION cm
270 REM R2 - R2.......POSSIBLE SOLUTION cm
280 REM SO - SOL......LOOP INDEX

290 REM TM - TMP......TEMPERATURE degree 6
300 REM

310 REM Set constants

320 REM

330 R6 I 82.05

340 PF I .6

350 PI I 3.141593

360 NAVO I 6.023E23

370 REM

380 REM Set input and output files
390 REM

400 OS I "LAC3.0TP”

410 IS I "K.DATA”

420 DS I CHR$ (4)

430 PRINT D$”MON C,I,0”

440 PRINT D$”OPEN ”;O$

450 PRINT D$"DELETE ";O$

460 PRINT D$”OPEN ”;O$

470 PRINT D$”OPEN ”;IS

480 REM

490 REM

500 PRINT D$;”WRITE ”;O$

92

]LIST 510-1000

510
520
530
540
550
560
570
580
590
600
610
620
630
640
650
660
670
680
690
700
710
720
730
740
750
760
770
780
790
800
810
820
830
840
850
860
870
880
890
900
910
920
930
940

950
960
970
980
990

PRINT ” LAC THEORY OUTPUT”
PRINT ” ”

REM

REM Start calculations
REM

FOR SOL I 1 TO 4

READ NMET H

IF NMET I 0 THEN GOTO 1350
REM

REM

REM

FOR MET I 1 TO NMET

PRINT D$"READ ”;I$

INPUT M$,NDSET,RHO

REM

REM Calc solvent radius
REM

RSOLV I (PF * 3 I (4 * PI * NAVO * RHO)) “ .33333333

REM
PRINT D$;"WRITE ";03

FOR I - 1 TO 6

PRINT " "

NEXT 1

PRINT " SOLUTE #”;SOL;” METAL ”;M$
PRINT " "

REM

REM

FOR SET - 1 To NDSET
PRINT D$;”READ ”;I$
INPUT A$,NPNT

PRINT D$;”WRITE ";0$
PRINT ”INPUT FROM ”;A$
REM

REM

REM

FOR PNT - 1 TO NPNT
PRINT D$;"READ ”;I$

INPUT KH,TMP

PRINT D$;”WRITE ”;O$

REM

REM Check if data obeys equation L47 of
REM Lee and Campbell calculation scheme
REM

CHK I 2.71828 ‘ ((5 * PF + 4) I (2 * PF + 4) + L06 ((1 - PF) I R6 I

RHO))
IF KH < (CHK / TMP) 0010 1010
PRINT ”THIS DATA SHOULD NOT WORK”

REM
REM Calc coefficients of equation L35 of
REM Lee and Campbell calculation scheme

1000 REM

LIST

1010
1020
1030
1040
1050
1060
1070
1080
1090
1100
1110
1120
1130
1140
1150
1160
1170
1180
1190
1200
1210
1220
1230
1240
1250
1260
1270
1280
1290
1300
1310
1320
1330
1340
1350
1360
1370
1380
1390
1400

]PR#1
]PR#0

1010-1500 93

I PF I (l - PF)
(4.5 * D ‘ 2 + 3 I D) I (RSOLV ‘ 2)
I - (9 * D 2 2 + 3 * D) I RSOLV
I LOG (RH * RG * TMP * RHO I (1 - PF)) + 4.5 * D “ 2 - 1
REM

REM Check if determinate is less than zero
REM

IF (8 ‘ 2 - 4 * A * C) < 0 THEN GOTO 1130

REM
R1(PNT) I ( - 8 + (B ‘ 2 - 4 * A * C) ‘ 0. 5) I2 -RSOLV
R2(PNT)I(-B-(B‘2-4*A*C)‘0.)IZ A-RSOLV
GOTO 1140
R1(PNT) I - 999

REM

PRINT ” TEMPERATURE: ”;TMP

PRINT “ SOLVENT DENSITY: ”;RHO

PRINT " SOLUBILITY RATIO:”;KH

PRINT ' ”

NEXT PNT

PRINT " '

PRINT ”OUTPUTS”

FOR I I 1 TO NPNT

IF R1(I) I - 999 THEN GOTO 1260
'PRINT " POSSIBLE SOLUTIONS: ";R1(I);" ”;R2(I)

GOTO 1270

PRINT ” NO SOLUTIONS...UNA8LE T0 SOLVE QUADRATIC”
NEXT I

PRINT ” ”

PRINT ” ”

REM

REM

REM

NEXT SET

NEXT MET

NEXT SOL

PRINT D$;"CLOSE ”;0$

PRINT D$;”CLOSE ";I$

PRINT D$;”NOMON 6,1,0”

DATA 17, 0, ll, 4

END

OU>U
I

]LIST 10-500

10
20
30
40
50
60
70
8O

90

100
110
120
130
140
150
160
170
180
190
200
210

220
230
240
250
260
270
280
290
300
310
320
330
340
350
360
370
380
390
400
410
420
430
440

REM
REM
REM
REM
REM
REM
REM
REM
ED
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM

94

Regular solution and Qausi-chemical solution
calulation programs

VARAIBLE LIST
AC - ACSOL..ACTIVITY COEFF OF THE SOLUTE
BE - BE.....OUTPUT FROM REGULAR SOLUTION THEORY
CH - CHK....NEXT VALUE CALC
CA - CA.....MULTIPLIER OF THE CUBED TERM IN THE CUBIC TO BE SOLV

CB - CB.....MULTIPLIER OF SQUARED TERM IN CUBIC

CC
CD
D3
DE
LA
IT
I

I$
ME
M3
NM
NP

YSTEM

REM
REM
REM
REM
REM
REM
REM
REM

ND
03
PA
PT
PN
QB
QC
R1
R2
RG
SE
SO
SL
SP
ST
TM
XS
ZE
ZS

CC.....MULTIPLIER OF LINEAR TERM IN CUBIC
CD.....CONSTANT IN CUBIC

D$.....CONTROL D

DETR...DETERMINATE OF QUADRATIC TO BE SOLVED
LAM....FIRST ROOT FOUND

ITER...INCREASE IN LAM PER ITERATION
I......LOOP INDEX

I$.....NAME OF INPUT FILE

MET....METAL LOOP INDEX

M3.....NAME OF METAL

NMET...NUMBER OF METALS FORA SOLUTER HAS DATA
NPNT...NUMBER OF DATA POINTS FOR A SPECIFIC METAL-SOLUTE S

NDSET..NUMBER OF DATA SETS

03.....NAME OF OUTPUT FILE

PTH....FLA6

PTH....LOCAL FLAG

PNT....INDEX IN DATA POINTS LOOP
Q8.....COEFFICIENT

QC.....CONSTANT IN QUADRATIC EQUATION
R1.....ROOT OF CUBIC

R2.....ROOT OF CUBIC

R6....IDEAL GAS LAW CONSTANT

SET....LOOP INDEX

SOL....SOLUTE NUMBER

SLTE...CONCENTRATION F0 THE SOLUTE at frac
SP.....SPREAD ON OUTPUT

STR....VALUE 0F STARTING CALCULATED STARTING POINT
TMP....TEMP degree 6

XSLV...CONCENTRATION OF THE SOLUTE at frac
ZERO...REMAINDER AFTER LONG DEVISION

- ZSOL...COORDINATION NUMBER OF THE SOLUTES

E1, E2, E3..POSSIBLE SOLUTIONS cal/gmole

Set input and output files

450 OS I ”RQ.OTP"

460 IS I ”AC.DATA"

CHR$ (4)

480 PRINT D$;”MON C,I,O”
490 PRINT D$;”0PEN ”;O$
500 PRINT D$;”DELETE ";os

470

DS I

LIST $00 - 1000 95

510
520
530
540
550
560
570
580
590
600
610

620
630
640
650
660
670
680
690
700
710
720
730
740
750
760
770
780
790
800
810
820
830
840
850
860
870
880
890
900
910
920
930
940
950
960
970
980
990

PRINT DS;”OPEN ”;O$

PRINT D$;”OPEN ";I$

REM

REM Set constants

REM
RG I 1.987

REM

REM Print output header
REM _
PRINT D$;”WRITE ”;OS

PRINT ” REGULAR SOLUTION AND QUASI—CHEMICAL SOLUTION RESULTS

PRINT ” '

PRINT ”UNIT KEY:”

PRINT "TEMPERATURE - DEGREE K”
PRINT ”Wab - CA;IGMOLE"
PRINT ” ”

PRINT " ”

PRINT ” "

FOR SOL I 1 TO 4

READ ZSOL(SOL),NMET

IF NMET I 0 THEN GOTO 2290
PRINT D$;”WRITE ”;O$

PRINT " ”

PRINT ” ”

FOR MET I 1 TO NMET

PRINT D$;"READ ”;I$

INPUT M$,NDSET

PRINT D$;”WRITE ”;0$

PRINT ” ”

PRINT
PRINT
PRINT
PRINT
PRINT
PRINT
REM
REM
FOR SET I 1 TO NDSET
PRINT D$;”READ ”;I$
INPUT A$,NPNT

PRINT D$;”WRITE ”;O$
PRINT ”INPUT FROM ";A$
REM

REM

REM

FOR PNT I 1 TO NPNT
PRINT D$;”READ ”;IS
INPUT ACSOL,SLTE,TMP
XSLV I 1 - SLTE

SOLUTE #";SOL;” METAL ”;M$

1000 REM

LIST 1010 - 1500 96

1010
1020
1030
1040
1050
1060
1070
1080
1090
1100
1110
1120
1130
1140
1150
1160
1170
1180
1190
1200
1210
1220
1230
1240
1250
1260
1270
1280
1290
1300
1310
1320
1330
1340
1350
1360
1370
1380
1390
1400
1410
1420
1430
1440
1450
1460
1470
1480
1490
1500

REM Begin quais-chemical calculation

REM

REM Calculate coeffs in cubic defined by equation
REM 628 of quasi-chemical calculation scheme

REM
CA I 5 * ZSOL(SOL) * XSLV ‘ 4
CB I 3 / 4 * ZSOL(SOL) * XSL ‘ 4 - ZSOL(SOL) * XSL ‘ 3
CC I 1 l 2 * ZSOL(SOL) * XSLV ‘ 2
CD I - LOG (ACSOL)

REM

REM Normalize coeffs

REM
CB I
CC I
CD I
CA-
REM
REM Solve for first root by iterative loop technique
REM
LAM I - 1

ITER I 1

STR I CA * LAM ‘ 3 + CB * LAM ‘ 2 + CC * LAM + CD

IF ABS (STR) < .001 GOTO 1550
PTH I 0

IF STR < 0.0 THEN PTH I 1

REM

REM

REM
LAM I LAM + ITER

CHK I CA * LAM ‘ 3 + CB * LAM ‘ 2 + CC * LAM + CD

IF ABS (CHK) < .001 GOTO 1550

IF PTH I 1 GOTO 1400

REM

REM WHEN PTH EQUALS ONE, THE STARTING POINT HAS LESS THEN ZERO
REM

REM

IF CHK > 0 THEN GOTO 1290

GOTO 1440

REM

IF CHK < 0 THEN GOTO 1290

REM

REM Overshot reset LAM

REM
LAM I LAM - 2 * ITER

9889

9992

HLm< -1mmLMI -1
ITER - ITER I 10

GOTO 1220

REM

REM

REM

LIST 1010 - 1500 97

1010
1020
1030
1040
1050
1060
1070
1080
1090
1100
1110
1120
1130
1140
1150
1160
1170
1180
1190
1200
1210
1220
1230
1240
1250
1260
1270
1280
1290
1300
1310
1320
1330
1340
1350
1360
1370
1380
1390
1400
1410
1420
1430
1440
1450
1460
1470
1480
1490
1500

REM Begin quais-chemical calculation

REM

REM Calculate coeffs in cubic defined by equation
REM G28 of quasi-chemical calculation scheme

REM
CA I 5 * ZSOL(SOL) * XSLV ‘ 4
CB I 3 / 4 * ZSOL(SOL) * XSL ‘ 4 - ZSOL(SOL) * XSL “ 3

CC I 1 / 2 * ZSOL(SOL) * XSLV ‘ 2
CD I - LOG (ACSOL)

REM

REM Normalize coeffs

REM
CB I
CC-
CD I
CA-
REM
REM Solve for first root by iterative loop technique
REM

LAM I - 1

ITER I 1

STR I CA * LAM “ 3 + CB * LAM ‘ 2 + CC * LAM + CD

000g
DUO

\\\\
9992

IF ABS (STR) < .001 GOTO 1550
PTH I 0

IF STR ( 0.0 THEN PTH I 1

REM

REM

REM
LAM I LAM + ITER

CHK I CA * LAM ‘ 3 + CB * LAM ‘ 2 + CC * LAM + CD
IF ABS (CHK) < .001 GOTO 1550

IF PTH I 1 GOTO 1400

REM

REM WHEN PTH EQUALS ONE, THE STARTING POINT WAS LESS THEN ZERO
REM

REM

IF CHE > 0 THEN GOTO 1290

GOTO 1440

REM .

IF CHK < 0 THEN GOTO 1290

REM

REM Overshot reset LAM

REM
LAM I LAM - 2 * ITER

IF LAM < - 1 THEN LAM = - 1
ITER I ITER I 10

GOTO 1220

REM

REM

REM

LIST 1510-2000 98

1510
1520
1530
1540
1550
1560
1570
1580
1590
1600
1610
1620
1630
1640
1650
1660
1670
1680
1690
1700
1710
1720
1730
1740
1750
1760
1770
1780
1790
1800
1810
1820
1830
1840
1850
1860
1870
1880
1890
1900
1910
1920
1930
1940
1950
1960
1970
1980
1990
2000

REM ***FIRST ROOT OF CUBIC FOUND ****
REM

REM Calc coeff of square
REM

QB I CB + LAM
QC I CC + LAM * QB

ZERO I CD + QC * LAM
DETR I QB ‘ 2 - 4 * QC

REM

REM Solve square

REM

IF DETR < 0 GOTO 1710

IF DETR I 0 GOTO 1780
R1 - ( - QB + DETR * (0.5)) l 2
R2 - ( - QB - DETR “ .5) / 2

PRINT ”ROOT ARE ”;R1;R2;LAM

GOTO 1870

REM

REM

REM

PRINT "ONE ROOT ONLY, EQUALS ”;LAM
R1 - - 2
R2 - - 2

GOTO 1870

REM

REM

REM
R1 . - QB I 2

PRINT ”ROOTS ARE: ”;R1;LAM

R2 I - 2

GOTO 1870

REM

REM

REM

REM Calculate Hab values
REM

E1(PNT) I 0

E2(PNT) I 0

E3(PNT) - 0

IF R1 < - 1 GOTO 1920

El(PNT) I LOG (R1 + 1) * RG * TMP / 2

IF R2 < - 1 GOTO 1940

E2(PNT) - LOG (R2 + 1) * RG * TMP I 2
E3(PNT) - LOG (LAM + 1) * RG * TMP / 2
PRINT D$;”WRITE ";os

REM

REM REGULAR SOLN CALC:

REM
BE(PNT) I LOG (ACSOL) * RG * TMP I XSLV ‘ 2 I ZSOL(SOL)

REM

LIST 2010-2500 99

2010 REM

2020 PRINT ' TEMPERATURE: ”;TMP

2030 PRINT ' SOLUTE ACTIVITY COEFF: ":ACSOL
2040 PRINT " SOLUTE CONCENTRATION ”;SLTE
2050 PRINT " SOLUTE COORDINATION NUMBER: ”;ZSOL(SOL)

2060 PRINT ” ”

2070 NEXT PNT

2080 REM

2090 REM

2100 PRINT "OUTPUT"

2110 FOR I I 1 TO NPNT

2120 PRINT " QUASI-CHEMICAL PREDICTIONS OF Wab: ”;E1(I);” ";E2(I);"
”;E3(I)

2130 NEXT I

2140 SP I (E3(NPNT) - E3(1)) / E3(1) * 100

2150 IF SP ( 0 THEN SP I - SP

2160 PRINT ” SPREAD ON OUTPUT: ";SP

2170 PRINT ” ”

2180 PRINT ” ”

2190 FOR I 1 TO NPNT

2200 PRINT " REGULAR SOLUTION PREDITIONS 0F Wab: ";BE(I)

2210 NEXT I

2220 SP I (BE(NPNT) - BE(1)) / BE(1) * 100

2230 IF SP ( 0 THEN SP I - SP

2240 PRINT " SPREAD ON OUTPUT: ';SP

2250 PRINT ” ”

2260 PRINT ” ”

2270 NEXT SET

2280 NEXT MET

2290 NEXT SOL

2300 PRINT D$;”CLOSE ”;I$

2310 PRINT D$;'CLOSE ”;O$

2320 PRINT D$;”NOMON C,I,O”

2330 END

2340 DATA 2, 0
2350 DATA 4, 0
2360 DATA 6, 0
2370 DATA 6, 9

]PR#0

100

]LIST 10 - 500

10

20

30

40

50

60

70

80

90

100
130
140
150
160
170
180
190
200
205
210
220
230
240
250
260
270
280
290
300
310
340
350
360
380
400
410
420
430
440
450
460
470
480
490
500

REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM
REM

BUX THEORY CALC

VARIABLE LIST

- A. o o o o o OCONS FOR DELTA H CALC
- Bo o o o o o o CONS FOR DELTA H CACL
- Co 0 o o o o OCONS FOR DELTA H CALC

CE - CEC......CONV FACTOR erg/cal

CH - CHOICE..I0 FOR CALC FROM EXP DATA; I1 FOR PREDICTIONS
EC - ECOM....DELTA H cal/gmole
DH - DH......CONS FOR DELTA H CALC

I - I.......CONS FOR DELTA H CALC

IN - IN......LOOP INDEX

LA - LAST....NUMBER OF POINTS DATA TABLES
ME - MET.....LOOP INDEX
MN - MNUM....METAL NUMBER

NA - NAVO.....AVOGODROS NUMBER molecule/mole

NC - NC.......NUMBER OF ATOMS IN SOLUTE-SOLVENT COMPLEX
ND - NDSET...NUMBER OF DATA SETS
NM - NMET....NUMBER OF METALS SOLUTE HAS DATA FOR

NP - NPNT....NUMBER OF DATA POINTS FOR A METAL-SOLUTE
RA - RAD(4)...SOLUTE RADIUS cm

RC - RC.......CALC SOLUTE RADIUS WITHOUT ECOM

RE - RE.......CALC SOLUTE RADIUS USING ECOM
RG - RG.......IDEAL GAS CONSTANT cal/gmole [degree C
PE - PE......PERCENT ERROR ON XMAX PREDICTION

PI - PI......THE CONSTANT PI

PN - PNT.....LOOP INDEX

SE - SET....LOOP INDEX

T1 - T1......INDEPENDENT VARIABLE DATA TABLE

T2 - T2......DEPENDENT VARIABLE DATA TABLE

TH - THMET....METAL SURFACE TENSION dyne/cm
TM - TMP......TEMPERATURE degree C

XC - XC......CALC MAX SOLUBILTY
XM - XMAX.....SOLUTE MAXIMUM SOLUBITY at frac

AS - AS......NAME AUTHOR FOR DATA SET

D3 - D3......CONTROL D

IS - 13......NAME OF INPUT FILE
MS - M3......NAME OF METAL

OS - O$......NAME OF OUTPUT FILE

S$ - S$......NAME OF SOLUTE

TS - T3......NAME OF TABLE INPUT FILE

LIST 510-1000 101

510
520
525
530
550
560
570
580
590
600
610
615
620
630
640
650
660
670
680
690
700
705
710
720
730
740
750
760
770
780
790
800

DS I CHRS (4)
OS I ”BUXC.OTP"
IS I "XC.DATA”

READ CHOICE

PRINT D$;”MON C,I,O”

PRINT D$;'OPEN ”;0$

PRINT D$;”DELETE ”;O$

PRINT D$;”OPEN ”;0$

PRINT D$;”OPEN ”;I$

REM

REM

GOTO 750

REM FOR PREDICTIVE PURPOSES ONLY
IF CHOICE I 0 THEN GOTO 740

T3 I "TABLE.DAT”

PRINT D$;"OPEN ”;T$
PRINT D$;"READ ";T$
INPUT LAST

REM

FOR IN I 1 TO LAST
INPUT T1(IN),T2(IN)

T2(IN) I T2(IN) * 10 ‘ ( - 8)

NEXT IN

REM

REM

REM

PRINT D$;”READ ”;I$
INPUT S$,NMET

REM

REM

REM

REM SET CONSTANTA

850 RC I 1.987

860
870
880
890
900
910
920
940
950
960
970
980
990

NAVO I 6.023E23
PI I 3.141593
CEC I 4.184E7

REM

REM

REM

REM START CALCULATIONS

REM

REM

REM

IF NMET I 0 THEN GOTO 2060
REM

REM

1000 PRINT D$;"HRITE ";os

LIST 1010-15000 102

1010
1020
1030
1040
1050
1070
1080
1090
1100
1110
1120
1130
1140
1150
1160
1170
1200
1210
1220
1230
1240
1250
1260
1270
1280
1290
1300
1310
1320
1330
1340
1350
1360
1370
1380
1390
1400
1410
1420
1430
1450
1460
1465
1470
1480
1490
1500

PRINT ' BUX THEORY OUTPUT”
PRINT ” "

PRINT ”UNITS KEY:'

PRINT ” RADIUS - CM”
PRINT ” SOLUBILITY AT FRAC”
PRINT ” TEMPERATURE DEGREE C”
PRINT ” SURFACE TENSION DYNE/CM”
REM

REM

REM

FOR MET I 1 TO NMET

PRINT D$;”READ ';I$

INPUT M$,NDSET

INPUT DH,A,B,C,I,NC

REM

REM

REM

REM

REM

PRINT D$;”WRITE ”;O$

FOR IN I 1 TO 6

PRINT " '

NEXT IN

PRINT ' OUTPUT FOR "3S$;” AND METAL ”;M$
PRINT ' ”

FOR SET I 1 TO NDSET

PRINT D$;"READ ”;I$

INPUT A$,NPNT

PRINT D$;”WRITE “30$

PRINT ”INPUT FROM ”;A$

REM

REM

REM

FOR PNT I 1 TO NPNT

PRINT D$;“READ ”;I$

INPUT XMAX,TMP,THMET

REM

REM

REM

IF CHOICE I 0 THEN GOTO 1840

REM

REM

GOTO 1765

REM THIS WILL SEARCH A TABLE

REM

REM

REM T1 ARE THE INDEPDENT OR SEARCHED TABLE VALUES

LIST 1510-2000 103

1510 REM IT IS ASSUMED THEY STARTS SMALL AND GETS LARGER

1520 REM

1530 REM RAD IS THE DEPENDENT OR OUTPUT TABLE VALUES

1540 REM

1550 REM INPUTS

1560 REM NUMBER OF TABLE VALUES

1570 REM THE TABLE VALUES

1580 REM THE VALUE TO BE SEARCHED FOR

1590 REM

1600 REM

1610 REM

1620 IF TMP > T1(1) THEN GOTO 1650

1630 RAD(SOL) - T2(1)

1640 GOTO 1760

1650 IF TMP < T1(LAST) THEN GOTO 1680

1660 RAD(SOL) - T2(LAST)

1670 GOTO 1760

1680 IN - 1

1690 IN - IN + 1

1700 IF TMP > T1(IN) THEN GOTO 1690

1710 REM

1720 REM

1730 RC(PNT) - T2(IN) + (TMP - T1(IN)) / (T1(IN - 1) - T1(IN)) * (T2(IN -
1) - T2(IN))

1740 REM

1750 REM

1760 REM

1765 RC(PNT) - 0.5E - 8

1770 xc(PNT) - 2.7128 * ( - 4 * PI * RC(PNT) - 2 * NAVO * THMET / (RC * T
MP * CEC))

1780 PE(PNT) - (XMAX - xc(PNT)) / XMAX * 100

1790 ECOM - 0

1800 GOTO 1868

1810 REM

1820 REM

1830 REM

1840 ECOM - DH + A / 2.303 * LOG (TMP) + B * 1E - 3 * TMP * 2 + C * 1E5 /
TMP + I * TMP

1845 IF ECOM - 0 GOTO 1868

1850 ECOM - ECOM / NC

1860 RE(PNT) - (CEC * ( - RG * TMP * LOG (XMAX) + ECOM) / THMET A NAVO /
4 / PI) ‘ 0.5

1865 GOTO 1870

1868 RE(PNT) - o

1870 RC(PNT) - (CEC * ( - RG * TMP * LOG (XMAX)) I THMET / NAVO / 4 / PI
) ‘ 0.5

1930 REM

1940 REM

1950 REM

1960 PRINT D$;”HRITE ”;O$

1970 PRINT " TEMPERATURE: ”;TMP

2000 PRINT " SOLUTE MAXIMUM SOL: ”;XMAX

LIST 2010-2500 104

2010
.2020
2030
2040
2050
2060
2070
2080
2090
2100
2110
2120
.2130
2140
2150
2160
2170
2180
2190
2200
2210
2215
2220
2230
2240
2250
2260
2310
2320
2330
2340
2350
2360
2370
2380
2390

]PR#0

PRINT ” METAL SURFACE TENSION: ";THMET
PRINT ' ”

NEXT PNT

REM

REM

REM

PRINT ' '

PRINT ”OUTPUT”

IF CHOICE I 0 THEN GOTO 2180
REM

REM

FOR IN I 1 TO NPNT

PRINT ” CALC MAX SOLUBILTY: ”;XC(IN)
NEXT IN

PRINT " ”

REM

REM

FOR IN I 1 TO NPNT

PRINT ” SOLUTE RADIUS N/ECOM: ";RC(IN)
NEXT IN

REM

GOTO 2310

PRINT ” ”

FOR IN I 1 TO NPNT

PRINT ” SOLUTE RADIUS W/ECOM: ”;RE(IN)
NEXT IN

REM

PRINT ' ”

PRINT ” “

NEXT SET

NEXT MET

PRINT D$;”CLOSE ”;O$

PRINT D$;”CLOSE "31$

PRINT D$”NOMON 0,1,0”

DATA 1

END

105

REGULAR SOLUTION AND QUASI-CHEMICAL SOLUTION RESULTS
WITH MAXIMUM SOLUBILITY DATA AS INPUT

UNIT REY:

SOLUBILITY - AT FRAC
TEMPERATURE - DEGREE R
Uab - CA;/GMOLE

SOLUTE CARBON METAL ALUMINUM - NONE??

INPUT FROM HANSEN
TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Wab:

SPREAD ON OUTPUT:

REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Wab:
12.178035

SPREAD ON OUTPUT:

1070
454.545455
2.2E-03
4
1270
322.580645
3.1E-03
4
1370
285.714286
3.5E-03
l;
1470
140.84507
7.1E-03
4
0 0 527.179973
0 O 616.463392
0 0 659.984406
0 0 682.758767
29.5115143
3266.90309
3666.84154
3875.57241
3664.74769

106

SOLUTE CARBON METAL ANTIMONY - NONE
INPUT FROM HANSEN

TEMPERATURE: 1330
SOLUTE ACTIVITY COEFF: 297.619048
SOLUTE CONCENTRATION 3.36E-03
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 1540
SOLUTE ACTIVITY COEFF: 144.7178
SOLUTE CONCENTRATION 6.91E-O3
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 1600
SOLUTE ACTIVITY COEFF: 104.602511
SOLUTE CONCENTRATION 9.56E-O3
SOLUTE COORDINATION NUMBER: 4

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:

42.341071

0 O 6
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 716.229428
0 O 7

QUASI-CHEMICAL PREDICTIONS OF Uab:

SPREAD ON OUTPUT: 13.8245378

31.141755

REGULAR SOLUTION PREDITIONS OF Wab: 3788.51239

REGULAR SOLUTION PREDITIONS OF Wab: 3858.83093

REGULAR SOLUTION PREDITIONS OF Uab: 3767.64622
SPREAD ON OUTPUT: .550774632

SOLUTE CARBON METAL BISMUTH - NONE

INPUT FROM GRIFFITH

TEMPERATURE: 570

SOLUTE ACTIVITY COEFF: 36363.6364
SOLUTE CONCENTRATION 2.75E-05
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 670

SOLUTE ACTIVITY COEFF: 29239.7661
SOLUTE CONCENTRATION 3.42E-05
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 770
SOLUTE ACTIVITY COEFF: 24937.6559
SOLUTE CONCENTRATION 4.01E-05
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 870

107

SOLUTE ACTIVITY COEFF: 22026.4317
SOLUTE CONCENTRATION 4.54E-05
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 970

SOLUTE ACTIVITY COEFF: 19960.0798
SOLUTE CONCENTRATION 5.01E-05
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 1070
SOLUTE ACTIVITY COEFF: 19157.0881
SOLUTE CONCENTRATION 5.22E-05

SOLUTE COORDINATION NUMBER: 4

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

SPREAD ON OUTPUT: 84.4205684

O 327.169194
0 382.322288
0 437.228577
0 492.546102
0 547.523979
0 603.367288

OOOOOO

REGULAR SOLUTION PREDITIONS OF Uab: 2973.58734

REGULAR SOLUTION PREDITIONS OF Wab: 3422.7427

REGULAR SOLUTION PREDITIONS OF Wab: 3872.76662

REGULAR SOLUTION PREDITIONS OF Wab: 4322.11677

REGULAR SOLUTION PREDITIONS OF Wab: 4771.48608

REGULAR SOLUTION PREDITIONS OF Uab: 5241.58658
SPREAD ON OUTPUT: 76.2714857

SOLUTE CARBON METAL CERIUM - NONE - S.T. GUESS
INPUT FROM GTE

TEMPERATURE: 870

SOLUTE ACTIVITY COEFF: 3.92156863

SOLUTE CONCENTRATION .255

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE: 1070

SOLUTE ACTIVITY COEFF: 3.33333333

SOLUTE CONCENTRATION .3

SOLUTE COORDINATION NUMBER: 4

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 373.770054
QUASI-CHEMICAL PREDICTIONS OF Wab: O O 474.763393

108

SPREAD ON OUTPUT: 27.0201796

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 22.741283

1064.02441
1305.99721

SOLUTE CARBON METAL CHROMIUM - NONE - UNSURE S.T. DATA

INPUT FROM HANSEN
TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Wab:

1750
7.35294118
.136

l:

1830
6.66666667
.15

4

1950
5

.2

l.

2080
3.33333333
.3

l;

716.504143
749.258618
812.452136
9

0
0
O
O 22.904541

0
O
O
0

SPREAD ON OUTPUT: 28.8065882

REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 9.27193009

INPUT FROM GTE
TEMPERATURE:
SOLUTE ACTIVITY COEFF:

1800

2323.34227
2386.96424
2435.94086
2538.76094

6.89655173

SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Wab:

0
O
0

SPREAD ON OUTPUT: 15.833116

REGULAR SOLUTION PREDITIONS OF Uab:

REGULAR SOLUTION PREDITIONS OF Wab:

REGULAR SOLUTION PREDITIONS OF Wab:
SPREAD ON OUTPUT: 3.14747793

0 736.975689
0 795.786451
0 853.661905

2361.92046
2385.97284
2436.26139

SOLUTE CARBON METAL COBALT - Co3C - DENSITY IS GUESS
INPUT FROM HANSEN - CHECKS WITH ONE SOURCE

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
12.8904583

SPREAD ON OUTPUT:

1620
8.33333333
.12

4

1720
7.57575758
.132

l.

1820
6.99300699
.143

l:

60.077317

45.164308

0 O 6
0 0 701.956376
0 0 7

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:

110

2203.31906
2296.37017
2394.12749

SPREAD ON OUTPUT: 8.66004567

SOLUTE CARBON METAL COPPER - NONE

INPUT FROM HANSEN

TEMPERATURE: 1370
SOLUTE ACTIVITY COEFF: 188679.245
SOLUTE CONCENTRATION 5.3E-O6
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 1570
SOLUTE ACTIVITY COEFF: 125944.584
SOLUTE CONCENTRATION 7.94E-O6
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 1770
SOLUTE ACTIVITY COEFF: 37735.849
SOLUTE CONCENTRATION 2.65E-05
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 1970
SOLUTE ACTIVITY COEFF: 6289.30818
SOLUTE CONCENTRATION 1.59E-O4
SOLUTE COORDINATION NUMBER: 4

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Wab: O O 818.061503
QUASI-CHEMICAL PREDICTIONS OF Wab: 0 O 928.911505
QUASI-CHEMICAL PREDICTIONS OF Nab: 0 O 1016.93298
QUASI-CHEMICAL PREDICTIONS OF Wab: 0 0 1073.91148
SPREAD ON OUTPUT: 31.2751519

8267.24509
9158.94761
9266.32292
8562.12965

REGULAR SOLUTION PREDITIONS OF Nab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 3.56690235

111

SOLUTE CARBON METAL GERMANIUM - NONE - S.T. UNSURE DUE TO HIGH

TEMPS

INPUT FROM SCARCE
TEMPERATURE: 3000
SOLUTE ACTIVITY COEFF: 75.1879699
SOLUTE CONCENTRATION .0133
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 3100
SOLUTE ACTIVITY COEFF: 39.2156863
SOLUTE CONCENTRATION .0255
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 3200
SOLUTE ACTIVITY COEFF: 21.2765958
SOLUTE CONCENTRATION .047
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 3300
SOLUTE ACTIVITY COEFF: 12.0048019
SOLUTE CONCENTRATION .0833

SOLUTE COORDINATION NUMBER: 4

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:

QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: .356035701

0 0
QUASI-CHEMICAL PREDICTIONS OF Wab: 0 0
0 O
0 0

REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Wab:
SPREAD ON OUTPUT: 26.6828443

1346.32869
1339.80839
1339.51922
1351.1221

6612.5922

5949.66739
5351.60207
4848.16452

SOLUTE CARBON METAL HAFNIUM - NONE - S.T. UNSURE

INPUT FROM HANSEN

TEMPERATURE: 2480
SOLUTE ACTIVITY COEFF: 10.5263158
SOLUTE CONCENTRATION .095

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

112

2820
6.66666667
.15

l.

3160

3685
3.33333333
.3

4

1012.12315
1154.59525
1316.5891

1458.51783

0 0
0 0
0 O
0 0
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0

SPREAD ON OUTPUT: 61.5465109

1635.04963

REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 27.0338748

3540.59637
3678.27276
3947.4734

4162.45664
4497.75676

INPUT FROM GTE

TEMPERATURE: 2630
SOLUTE ACTIVITY COEFF: 20
SOLUTE CONCENTRATION .05

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE: 3110
SOLUTE ACTIVITY COEFF: 14.2857143
SOLUTE CONCENTRATION .07

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE: 3680
SOLUTE ACTIVITY COEFF: 6.6666666?
SOLUTE CONCENTRATION .15

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE: 4080

113

SOLUTE ACTIVITY COEFF: 3.33333333
SOLUTE CONCENTRATION .3
SOLUTE COORDINATION NUMBER: 4

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 1097.4861
QUASI-CHEMICAL PREDICTIONS OF Wab: 0 0 1279.46277
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 1506.70585
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 1810.31275

SPREAD ON OUTPUT: 64.9508592

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Wab:
SPREAD ON OUTPUT: 14.8336645

4336.60046
4749.99524
4800.01552
4979.87723

SOLUTE CARBON METAL IRON - Fe3C
INPUT FROM TURKOGAN

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE :

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

1570
5.39083558
.1855

b

1670
5.13347022
.1948

4

1770
4.91400491
.2035

A

1870
4.72589792
.2116

A

QUASI-CHEMICAL PREDICTIONS OF Uab:

QUASI-CHEMICAL PREDICTIONS OF Uab:

0
QUASI-CHEMICAL PREDICTIONS OF Uab: 0
0
0

QUASI-CHEMICAL PREDICTIONS OF Wab:

SPREAD ON OUTPUT:

20.6115748

50.020701
94.701159
38.612318
84.000204

NNO‘O‘

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
17.19141

SPREAD ON OUTPUT:

114

1980.51451
2093.01437
2206.51558
2320.99288

INPUT FROM .GRIGOROVICH - Fe-GRAPHITE EQUIL

TEMPERATURE: 1420
SOLUTE ACTIVITY COEFF: 5.84795322
SOLUTE CONCENTRATION .171
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 1710
SOLUTE ACTIVITY COEFF: 5

SOLUTE CONCENTRATION .2

SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 2300
SOLUTE ACTIVITY COEFF: 4

SOLUTE CONCENTRATION .25
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 2600
SOLUTE ACTIVITY COEFF: 3.33333333
SOLUTE CONCENTRATION .3

SOLUTE COORDINATION NUMBER: 4

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 585.12413

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 712.458027

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 986.644413

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 1153.63068
SPREAD ON OUTPUT: 97.15999

REGULAR SOLUTION PREDITIONS OF Uab:

1812.71869

REGULAR SOLUTION PREDITIONS OF Uab: 2136.13275

REGULAR SOLUTION PREDITIONS OF Uab: 2815.77949

REGULAR SOLUTION PREDITIONS OF Uab: 3173.45117
SPREAD ON OUTPUT: 75.065838

INPUT FROM GIRGOROVICH - Fe3C-Fe EQUIL

TEMPERATURE: 1420
SOLUTE ACTIVITY COEFF: 5.84795322
SOLUTE CONCENTRATION .171
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 1500
SOLUTE ACTIVITY COEFF: 5

SOLUTE CONCENTRATION .2

SOLUTE COORDINATION NUMBER: 4

115

TEMPERATURE: 1670
SOLUTE ACTIVITY COEFF: 4
SOLUTE CONCENTRATION .25

SOLUTE COORDINATION NUMBER: 4

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 585.12413
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 624.963181
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 716.389639
SPREAD ON OUTPUT: 22.4337884

REGULAR SOLUTION PREDITIONS OF Uab: 1812.71869

REGULAR SOLUTION PREDITIONS OF Uab: 1873.80066

REGULAR SOLUTION PREDITIONS OF Uab: 2044.50076
SPREAD ON OUTPUT: 12.7864334

SOLUTE CARBON METAL LITHIUM - NONE
INPUT FROM ADAMS

TEMPERATURE: 570

SOLUTE ACTIVITY COEFF: 95.2380953

SOLUTE CONCENTRATION .0105

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE: 670

SOLUTE ACTIVITY COEFF: 58.8235294

SOLUTE CONCENTRATION .017

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE: 770

SOLUTE ACTIVITY COEFF: 42.5531915

SOLUTE CONCENTRATION .0235

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE: 870

SOLUTE ACTIVITY COEFF: 33.3333333

SOLUTE CONCENTRATION .03

SOLUTE COORDINATION NUMBER: 4

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 259.037404
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 296.429452
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 334.275103
QUASI-CHEMICAL PREDICTIONS OF Wab: O O 373.208973

SPREAD ON OUTPUT: 44.0753217

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
22.2344438

SPREAD ON OUTPUT:

INPUT FROM HANSEN

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

116

1317.65305
1403.40957
1504.5367

1610.62588

680
62.5
.016

SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 830
SOLUTE ACTIVITY COEFF: 50
SOLUTE CONCENTRATION .02
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 970
SOLUTE ACTIVITY COEFF: 31.25
SOLUTE CONCENTRATION .032

SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 1070
SOLUTE ACTIVITY COEFF: 19.2307692
SOLUTE CONCENTRATION .052

SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 1170
SOLUTE ACTIVITY COEFF: 10.989011
SOLUTE CONCENTRATION .091

SOLUTE COORDINATION NUMBER:

4

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 58.768433

01.718792
63.512479
14.227397
45.80707

79.034198

00°00
00°00
##J-‘ww

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 16.867976

1442.61219
1679.4428

1769.99568
1748.57619
1685.95167

INPUT FROM HANSEN
TEMPERATURE:
SOLUTE ACTIVITY COEFF:

1010
20

SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O
QUASI-CHEMICAL PREDICTIONS OF Uab: 0
QUASI-CHEMICAL PREDICTIONS OF Uab: 0
QUASI-CHEMICAL PREDICTIONS OF Uab: O

SPREAD ON OUTPUT:

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
18.2394904

SPREAD ON OUTPUT:

117

.05

4

1055

10

.1

4

1070

6.66666667

.15

4

1090

5

.2

4
0 421.468046
0 430.560452
0 438.091104
0 454.139912

7.75192002

1665.38649
1489.77611
1395.65669
1361.62848

SOLUTE CARBON METAL MANGANEESE - Mn3C - S.T. UNSURE

INPUT FROM HANSEN

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

1620
3.79362671
.2636

4

1720
3.67647059
.272

4

1820
3.57653791
.2796

SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab
QUASI-CHEMICAL PREDICTIONS OF Uab
QUASI-CHEMICAL PREDICTIONS OF Wab
QUASI-CHEMICAL PREDICTIONS OF Wab.
17.314604

SPREAD ON OUTPUT:

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
15.2785085

SPREAD ON OUTPUT:

INPUT FROM HANSEN

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

118
4

1870
3.48675035
.2868

4

O 0 700.157933
0 O 748.898793
0 0 794.771037
0 0 821.387507

1978.61151
2098.93477
2220.06661
2280.91384

1500
17.5438597
.057

4

1565
6.66666667
.15

4

1590
5

.2

4

1610
4
.25
4

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 11.0334164

0 0 622.02093
O 0 640.759419
0 O 662.460973
0 0 690.651089
REGULAR SOLUTION PREDITIONS OF Uab: 2400.41043

REGULAR SOLUTION PREDITIONS OF Uab: 2041.31095
REGULAR SOLUTION PREDITIONS OF Uab: 1986.2287

119

REGULAR SOLUTION PREDITIONS OF Uab:

SPREAD ON OUTPUT:

INPUT FROM HANSEN

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

17.8871405

1580
3.77358491
.265

4

1620
3.67647059
.272

4

1720
3.57142857
.28

4

1870
3.42465754
.292

4

1971.04565

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 20.8034118

0 0 683.88576
0 0 705.358165
0 0 752.202987
0 0 826.157331
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:

REGULAR SOLUTION PREDITIONS OF Wab:
SPREAD ON OUTPUT: 18.2346738

1929.41959
1976.90368
2098.06057
2281.24296

SOLUTE CARBON METAL MOLYBDENUM - M02C - S.T. UNSURE
INPUT FROM RUDY

TEMPERATURE: 2470
SOLUTE ACTIVITY COEFF: 5.88235294
SOLUTE CONCENTRATION .17

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE: 2600

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

120

5
.2

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

2700
4
.25
4

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 13.7993999

1017.78634
1083.26951

0 O
0 O
O O 1158.23475

REGULAR SOLUTION PREDITIONS OF Uab: 3155.96214

REGULAR SOLUTION PREDITIONS OF Uab: 3247.92115

REGULAR SOLUTION PREDITIONS OF Wab: 3305.48027
SPREAD ON OUTPUT: 4.73764049

SOLUTE CARBON METAL NICKEL - N13C

INPUT FROM HANSEN

TEMPERATURE: 1620
SOLUTE ACTIVITY COEFF: 10.3092784
SOLUTE CONCENTRATION .097
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 1720
SOLUTE ACTIVITY COEFF: 9.61538462
SOLUTE CONCENTRATION .104
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 1820
SOLUTE ACTIVITY COEFF: 9.00900901
SOLUTE CONCENTRATION .111
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 1920
SOLUTE ACTIVITY COEFF: 8.47457627
SOLUTE CONCENTRATION .118
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 2020
SOLUTE ACTIVITY COEFF: 8.06451613
SOLUTE CONCENTRATION .124
SOLUTE COORDINATION NUMBER: 4

121

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 24.4900016

REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 18.5500312

0 O 6
0 0 7
O 0 741.568343
0 0 7
0 0 8

61.144959
00.82283

82.313857
23.05937

2302.50391
2408.82239
2514.65205
2620.11778
2729.6191

SOLUTE CARBON METAL NIOBIUM - NONE - S.T. UNSURE

INPUT FROM KIMURA

TEMPERATURE: 2610
SOLUTE ACTIVITY COEFF: 7.40740741
SOLUTE CONCENTRATION .135
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 2880
SOLUTE ACTIVITY COEFF: S

SOLUTE CONCENTRATION .2

SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 3110
SOLUTE ACTIVITY COEFF: 4

SOLUTE CONCENTRATION .25
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 3280
SOLUTE ACTIVITY COEFF: 3.33333333
SOLUTE CONCENTRATION .3

SOLUTE COORDINATION NUMBER: 4

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 36.1902844

1068.61475
1199.92931
1334.11484

0 0
0 0
0 0
0 0 1455.34947

122

REGULAR SOLUTION PREDITIONS OF Uab: 3469.88006

REGULAR SOLUTION PREDITIONS OF Uab: 3597.69727

REGULAR SOLUTION PREDITIONS OF Uab: 3807.42358

REGULAR SOLUTION PREDITIONS OF Uab: 4003.43071
SPREAD ON OUTPUT: 15.3766308

SOLUTE CARBON METAL PLUTONIUM - NONE
INPUT FROM HANSEN

TEMPERATURE: 1275

SOLUTE ACTIVITY COEFF: 20

SOLUTE CONCENTRATION .05

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE: 1420

SOLUTE ACTIVITY COEFF: 10

SOLUTE CONCENTRATION .1

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE: 1550

SOLUTE ACTIVITY COEFF: 6.66666667

SOLUTE CONCENTRATION .15

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE: 1650

SOLUTE ACTIVITY COEFF: 5

SOLUTE CONCENTRATION .2

SOLUTE COORDINATION NUMBER: 4

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 532.051246
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 579.522124
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 634.617954
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 687.4595

SPREAD ON OUTPUT: 29.2092641

REGULAR SOLUTION PREDITIONS OF Wab: 2102.34433

REGULAR SOLUTION PREDITIONS OF Uab: 2005.19628

REGULAR SOLUTION PREDITIONS OF Uab: 2021.74567

REGULAR SOLUTION PREDITIONS OF Uab: 2061.18073
SPREAD ON OUTPUT: 1.95798573

123

SOLUTE CARBON METAL RHENIUM - NONE - S.T. UNSURE

INPUT FROM HUGES

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab
QUASI-CHEMICAL PREDICTIONS OF Uab
QUASI-CHEMICAL PREDICTIONS OF Uab.
QUASI-CHEMICAL PREDICTIONS OF Uab:

SPREAD ON OUTPUT:

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
5.05871217

SPREAD ON OUTPUT:

2770
5.91715977
.169
4
2870
5
.2
4
2970
4.34782609
.23
4
3040
4
.25
4
: 0 0 1139.58581
: 0 0 1195.76289
' O 0 1256.76331
0 0 1304.08653
14.4351318
3542.52005
3585.20527
3657.08006
3721.72594

SOLUTE CARBON METAL SILVER - NONE

INPUT FROM HANSEN

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:

1930
9259.25926
1.08E-04

4

2005
4444.44445

124

SOLUTE CONCENTRATION 2.25E-O4
SOLUTE COORDINATION NUMBER: 4
OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 1065.35289
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 1081.45015

SPREAD ON OUTPUT: 1.51097874

REGULAR SOLUTION PREDITIONS OF Uab: 8758.31363
REGULAR SOLUTION PREDITIONS OF Uab: 8369.44185
SPREAD ON OUTPUT: 4.44003019

SOLUTE CARBON METAL SODIUM - NONE
INPUT FROM SALZANO

TEMPERATURE: 850

SOLUTE ACTIVITY COEFF: 61312.0785

SOLUTE CONCENTRATION 1.631E-05

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE: 970

SOLUTE ACTIVITY COEFF: 27063.5995

SOLUTE CONCENTRATION 3.695E-05

SOLUTE COORDINATION NUMBER: 4

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 494.022116
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 552.425519

SPREAD ON OUTPUT: 11.8220221

REGULAR SOLUTION PREDITIONS OF Uab: 4654.78494
REGULAR SOLUTION PREDITIONS OF Wab: 4918.07248
SPREAD ON OUTPUT: 5.65627723

INPUT FROM HANSEN

TEMPERATURE: 420

SOLUTE ACTIVITY COEFF: 16129.0323
SOLUTE CONCENTRATION 6.2E-05
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 570

SOLUTE ACTIVITY COEFF: 11111.1111
SOLUTE CONCENTRATION 9E-05

SOLUTE COORDINATION NUMBER: 4

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

125

770
8196.72132
1.22E-04

4

970
6944.44445
1.44E-04

4

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
SPREAD ON OUTPUT: 125.098438

0 235.65134
O 316.260058
0 423.279563
0 5

0
0
0
0 30.447486

REGULAR SOLUTION PREDITIONS OF Uab: 2021.58503
REGULAR SOLUTION PREDITIONS OF Uab: 2638.19227

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
110.899113

SPREAD ON OUTPUT:

3447.7134
4263.50491

SOLUTE CARBON METAL TANTALUM - NONE

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE :

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

INPUT FROM HANSEN - UNSURE PHASE DIAG

3070
12.5
.08
4

3150
10
.1
4

3305
6.66666667
.15

4

3455
5

.2
4

126

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 1256.95298
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 1285.55964
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 1353.16925
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 1439.49853
SPREAD ON OUTPUT: 14.522862
REGULAR SOLUTION PREDITIONS OF Uab: 4550.79515
REGULAR SOLUTION PREDITIONS OF Uab: 4448.14667
REGULAR SOLUTION PREDITIONS OF Uab: 4310.88351
REGULAR SOLUTION PREDITIONS OF Wab: 4315.98753
SPREAD ON OUTPUT: 5.1597054
INPUT FROM GTE
TEMPERATURE: 3120
SOLUTE ACTIVITY COEFF: 8.33333333
SOLUTE CONCENTRATION .12
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 3255
SOLUTE ACTIVITY COEFF: 6.66666667
SOLUTE CONCENTRATION .15
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 3450
SOLUTE ACTIVITY COEFF: 5
SOLUTE CONCENTRATION .2
SOLUTE COORDINATION NUMBER: 4
OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 1271.26002
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 1332.6977
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 1437.41532
SPREAD ON OUTPUT: 13.0701271
REGULAR SOLUTION PREDITIONS OF Uab: 4243.42929
REGULAR SOLUTION PREDITIONS OF Uab: 4245.6659
REGULAR SOLUTION PREDITIONS OF Uab: 4309.74152

SPREAD ON OUTPUT: 1.56270376

SOLUTE CARBON METAL TITANIUM - TIC
INPUT FROM GTE
TEMPERATURE: 1920
SOLUTE ACTIVITY COEFF: 66.6666667

SOLUTE CONCENTRATION .015

SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

127

1950
20
.05

2020
10
.1

4

2115
6.66666667
.15

4

2320
5

.2

4

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 12.9784971

55.56964

13.725435
24.390628
65.946435
66.609721

scoooooooo

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab: 3215.35015
REGULAR SOLUTION PREDITIONS OF Uab: 2852.46231
REGULAR SOLUTION PREDITIONS OF Uab: 2758.70457
REGULAR SOLUTION PREDITIONS OF Wab: 2898.14502

4128.43486

SPREAD ON OUTPUT: 29.8003935
INPUT FROM HANSEN
TEMPERATURE: 2110
SOLUTE ACTIVITY COEFF: 20
SOLUTE CONCENTRATION .05
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 2210
SOLUTE ACTIVITY COEFF: 10
SOLUTE CONCENTRATION .1
SOLUTE COORDINATION NUMBER: 4
TEMPERATURE: 2350
SOLUTE ACTIVITY COEFF: 6.66666667
SOLUTE CONCENTRATION .15
SOLUTE COORDINATION NUMBER: 4

128

TEMPERATURE: 2490
SOLUTE ACTIVITY COEFF: 5
SOLUTE CONCENTRATION .2

SOLUTE COORDINATION NUMBER: 4

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 17.82482

REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 10.5963278

0 O
0 0
0 0
0 0

880.492651
901.93232

962.162706
1037.43888

3479.17375
3120.76322
3065.2273
3110.5091

SOLUTE CARBON METAL URANIUM - UC2 - S.T. UNSURE

INPUT FROM HANSEN

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

1670
20
.05
4

1870
10
.1
4

2030
6.66666667
.15

4

2170
5

.2

4

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

696.882809
763.173502
831.144806

0 0
0 O
0 O
O 0 904.113403

SPREAD ON OUTPUT: 29.

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
1.55770536

SPREAD ON OUTPUT:

129
7367923

2753.65885
2640.6458

2647.83465
2710.76496

SOLUTE CARBON METAL VANADIUM - NONE - S.T. UNSURE

INPUT FROM STORMS - CHECKED BY

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O
QUASI-CHEMICAL PREDICTIONS OF Wab: 0
QUASI-CHEMICAL PREDICTIONS OF Uab: 0
QUASI-CHEMICAL PREDICTIONS OF Uab: O
21.

SPREAD ON OUTPUT:

ONE SOURCE
1920
6.89655173
.145

4

2000
5.98802395
.167

4

2120
5

.2

4

2250
4.34782609
.23

4

O 786.107402
0 822.805642
0 883.281296
0 952.093416
1149283

REGULAR SOLUTION PREDITIONS OF Uab: 2519.38183

REGULAR SOLUTION PREDITIONS OF Uab:

2562.55398

REGULAR SOLUTION PREDITIONS OF Uab: 2648.30494

REGULAR SOLUTION PREDITIONS OF Uab:

2770.5152

SPREAD ON OUTPUT: 9.96805513

130

SOLUTE CARBON METAL VOLFRAM - WC - S.T. UNSURE

INPUT FROM HANSEN
TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab: O
QUASI-CHEMICAL PREDICTIONS OF Uab: 0
22.7803026

SPREAD ON OUTPUT:

REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
18.8669423

SPREAD ON OUTPUT:

3070
2.5
.4

4

3350
2

.5

4

492.06165

O 1
0 1831.95781

3881.56662
4613.89955

SOLUTE CARBON METAL ZIRCONIUM - ZrC - S.T. GUESSED FROM T1

DATA

INPUT PROM HANSEN
TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:

2100
20
.05
4

2270
14.9253731
.067

4

2670
6.99300699
.143

4

3070
3.62318841

131

SOLUTE CONCENTRATION .276
SOLUTE COORDINATION NUMBER: 4
OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 876.3197
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 935.374489
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 1093.18061
QUASI-CHEMICAL PREDICTIONS OF Wab: O O 1338.6644

SPREAD ON OUTPUT: 52.7598202

REGULAR SOLUTION PREDITIONS OF Uab: 3462.68478

REGULAR SOLUTION PREDITIONS OF Wab: 3501.51958

REGULAR SOLUTION PREDITIONS OF Uab: 3512.26396

REGULAR SOLUTION PREDITIONS OF Uab: 3745.39171
SPREAD ON OUTPUT: 8.16438536

132

SOLUTE HYDROGEN METAL CALCIUM - CaH2
INPUT FROM HANSEN

TEMPERATURE: 1235

SOLUTE ACTIVITY COEFF: 20

SOLUTE CONCENTRATION .05

SOLUTE COORDINATION NUMBER: 2

TEMPERATURE: . 1250

SOLUTE ACTIVITY COEFF: 10

SOLUTE CONCENTRATION .1

SOLUTE COORDINATION NUMBER: 2

TEMPERATURE: 1270

SOLUTE ACTIVITY COEFF: 6.66666667

SOLUTE CONCENTRATION .15

SOLUTE COORDINATION NUMBER: 2

TEMPERATURE: 1320

SOLUTE ACTIVITY COEFF: 5

SOLUTE CONCENTRATION .2

SOLUTE COORDINATION NUMBER: 2

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 639.463609
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 636.862842
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 651.577739
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 690.465388

SPREAD ON OUTPUT: 7.97571263

REGULAR SOLUTION PREDITIONS OF Uab: 4072.77686

REGULAR SOLUTION PREDITIONS OF Uab: 3530.27514

REGULAR SOLUTION PREDITIONS OF Uab: 3313.05419

REGULAR SOLUTION PREDITIONS OF Uab: 3297.88916
SPREAD ON OUTPUT: 19.0260287

SOLUTE HYDROGEN METAL LANTANUM - NONE
INPUT FROM PETERSON - S.T. IFFY

TEMPERATURE: 1200
SOLUTE ACTIVITY COEFF: 20
SOLUTE CONCENTRATION .05
SOLUTE COORDINATION NUMBER: 2
TEMPERATURE: 1210
SOLUTE ACTIVITY COEFF: 10

SOLUTE CONCENTRATION .1

133

SOLUTE COORDINATION NUMBER: 2

TEMPERATURE: 1220

SOLUTE ACTIVITY COEFF: 6.66666667

SOLUTE CONCENTRATION .15

SOLUTE COORDINATION NUMBER: 2

TEMPERATURE: 1240

SOLUTE ACTIVITY COEFF: 5

SOLUTE CONCENTRATION .2

SOLUTE COORDINATION NUMBER: 2

TEMPERATURE: 1300

SOLUTE ACTIVITY COEFF: 3.33333333

SOLUTE CONCENTRATION .3

SOLUTE COORDINATION NUMBER: 2

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Wab: 0 0 621.341158
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 616.483231
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 625.925072
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 648.619001
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 724.246986

SPREAD ON OUTPUT: 16.5618882

REGULAR SOLUTION PREDITIONS OF Uab: 3957.35403

REGULAR SOLUTION PREDITIONS OF Uab: 3417.30633

REGULAR SOLUTION PREDITIONS OF Uab: 3182.61899

REGULAR SOLUTION PREDITIONS OF Uab: 3098.01709

REGULAR SOLUTION PREDITIONS OF Uab: 3173.45117
SPREAD ON OUTPUT: 19.8087625

SOLUTE HYDROGEN METAL LITHIUM - L1H
INPUT FROM HANSEN

TEMPERATURE: 760
SOLUTE ACTIVITY COEFF: 20
SOLUTE CONCENTRATION .05
SOLUTE COORDINATION NUMBER: 2

TEMPERATURE: 920
SOLUTE ACTIVITY COEFF: 10
SOLUTE CONCENTRATION .1

SOLUTE COORDINATION NUMBER: 2

TEMPERATURE: 960
SOLUTE ACTIVITY COEFF: 6.66666667

134

SOLUTE CONCENTRATION .15
SOLUTE COORDINATION NUMBER: 2

TEMPERATURE: 1090
SOLUTE ACTIVITY COEFF: 5
SOLUTE CONCENTRATION .2
SOLUTE COORDINATION NUMBER: 2

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O
QUASI-CHEMICAL PREDICTIONS OF Uab: 0
QUASI-CHEMICAL PREDICTIONS OF Uab: 0
QUASI-CHEMICAL PREDICTIONS OF Uab: 0
SPREAD ON OUTPUT: 44.8878644

0 393.516067
0 468.731052
0 492.531204
0 570.157025

REGULAR SOLUTION PREDITIONS OF Uab: 2506.32422

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

0 0 2
O 0 3
0 0 3
O O 3

REGULAR SOLUTION PREDITIONS OF Wab: 2598.2825
REGULAR SOLUTION PREDITIONS OF Nab: 2504.35592
REGULAR SOLUTION PREDITIONS OF Uab: 2723.25696
SPREAD ON OUTPUT: 8.65541415
INPUT FROM BUBBERTY

TEMPERATURE: 470

SOLUTE ACTIVITY COEFF: 2439.02439

SOLUTE CONCENTRATION 4.1E-04

SOLUTE COORDINATION NUMBER: 2

TEMPERATURE: 550

SOLUTE ACTIVITY COEFF: 471.698113

SOLUTE CONCENTRATION 2.12E-03

SOLUTE COORDINATION NUMBER: 2

TEMPERATURE: 650

SOLUTE ACTIVITY COEFF: 106.609808

SOLUTE CONCENTRATION 9.38E-03

SOLUTE COORDINATION NUMBER: 2

TEMPERATURE: 750

SOLUTE ACTIVITY COEFF: 35.8422939

SOLUTE CONCENTRATION .0279

SOLUTE COORDINATION NUMBER: 2

TEMPERATURE: 870

SOLUTE ACTIVITY COEFF: 13.4952767

SOLUTE CONCENTRATION .0741

SOLUTE COORDINATION NUMBER: 2

99.956159
30.213353
64.698503
98.446238

135

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 444.80786
SPREAD ON OUTPUT: 48.2909575

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:

SPREAD ON OUTPUT: 28.

INPUT FROM ADAMS
TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

0149306

900
8.54700855
.117

2

950
5.31914894
.188

2

SPREAD ON OUTPUT: 7.76223377

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 2.76931781

SOLUTE HYDROGEN METAL
URANIUM
INPUT FROM HANSEN
TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

0
0

3644.85724
3378.28639
3072.60861
2822.17896
2623.75301

458.541246
4

O
0 94.13429

2460.55999
2392.41927

PLUTONIUM - PuH2 - DENSITY DATA BASED ON

970
20
.05
2

1070
13.3333333
.075

2

QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
8.92219053

SPREAD ON OUTPUT:

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
.604487015

SPREAD ON OUTPUT:

SOLUTE HYDROGEN METAL

INPUT FROM HUBBERTY

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

136
0 502.25077
0 5

0
0 47.06254

3198.86118
3218.19788

POTASSIUM - NONE

400
151285.93
6.61E-06
2

500
4807.69231
2.08E-04

2

600
483.091788
2.07E-03

2

700
93.457944
.0107

2

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
SPREAD ON OUTPUT: 37.2835778

REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 31.9754819

INPUT FROM ARNIL’DOV - RUSSIAN

84.357376

60.558397
90.375979

0 2
0 326.108028
0 3
0 3

4739.82341
4213.18533
3699.32053
3224.24203

137

TEMPERATURE: 570

SOLUTE ACTIVITY COEFF: 558.659218
SOLUTE CONCENTRATION 1.79E-03
SOLUTE COORDINATION NUMBER: 2
TEMPERATURE: 670
SOLUTE ACTIVITY COEFF: 95.2380953
SOLUTE CONCENTRATION .0105
SOLUTE COORDINATION NUMBER: 2
TEMPERATURE: 770
SOLUTE ACTIVITY COEFF: 25.9067358
SOLUTE CONCENTRATION .0386

SOLUTE COORDINATION NUMBER: 2

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 344.691321
QUASI-CHEMICAL PREDICTIONS OF Web: 0 0 373.64558
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 403.223201
SPREAD ON OUTPUT: 16.9809554

REGULAR SOLUTION PREDITIONS OF Uab: 3594.97999

REGULAR SOLUTION PREDITIONS OF Uab: 3097.64051

REGULAR SOLUTION PREDITIONS OF Uab: 2693.612
SPREAD ON OUTPUT: 25.0729627

SOLUTE HYDROGEN METAL SODIUM - NaH
INPUT FROM McCLURE

TEMPERATURE: 530

SOLUTE ACTIVITY COEFF: 5265.92944
SOLUTE CONCENTRATION 1.899E-04
SOLUTE COORDINATION NUMBER: 2
TEMPERATURE: 630

SOLUTE ACTIVITY COEFF: 763.941941
SOLUTE CONCENTRATION 1.309E-O3

SOLUTE COORDINATION NUMBER: 2

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 346.493201
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 385.724056
SPREAD ON OUTPUT: 11.3222582

REGULAR SOLUTION PREDITIONS OF Uab: 4513.77078
REGULAR SOLUTION PREDITIONS OF Uab: 4165.96456

SPREAD ON OUTPUT:

INPUT FROM ADDISON

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
12.6529432

SPREAD ON OUTPUT:

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:

138

7.70544697

520
12112.4031
8.256E-05
2

593
7843.13725
2

O 0 348.183469
0 0 392.238925

4858.05575
5284.44738

SPREAD ON OUTPUT: 8.77700163

INPUT FROM HUBBERTY

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

400
537634.408
1.86E-06

2

500
16583.7479
6.03E-05

2

600
1636.66121
6.11E-04

2

700
312.5
3.2E-03
2

0 0 291.615761
0 0 337.569059
0 0 377.884374
0 0 413.013275

SPREAD ON OUTPUT: 41.6292704

139

REGULAR SOLUTION PREDITIONS OF Uab: 5243.6863

REGULAR SOLUTION PREDITIONS OF Uab: 4827.09377

REGULAR SOLUTION PREDITIONS OF Uab: 4416.7822

REGULAR SOLUTION PREDITIONS OF Uab: 4020.77698
SPREAD ON OUTPUT: 23.3215577

SOLUTE HYDROGEN METAL STRONTIUM - SrH2
INPUT FROM HANSEN - SCENY PHASE DIAG

TEMPERATURE: 1050
SOLUTE ACTIVITY COEFF: 20
SOLUTE CONCENTRATION .05
SOLUTE COORDINATION NUMBER: 2
TEMPERATURE: 1065
SOLUTE ACTIVITY COEFF: 10
SOLUTE CONCENTRATION .1
SOLUTE COORDINATION NUMBER: 2
TEMPERATURE: 1080
SOLUTE ACTIVITY COEFF: 6.66666667
SOLUTE CONCENTRATION .15

SOLUTE COORDINATION NUMBER: 2

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 543.673513
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 542.607141
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 554.097605
SPREAD ON OUTPUT: 1.91734389

REGULAR SOLUTION PREDITIONS OF Uab: 3462.68478

REGULAR SOLUTION PREDITIONS OF Uab: 3007.79442

REGULAR SOLUTION PREDITIONS OF Uab: 2817.40042
SPREAD ON OUTPUT: 18.635377

SOLUTE HYDROGEN METAL URANIUM - UH3 - UNSURE S.T. DATA

INPUT FROM HANSEN
TEMPERATURE: 1400
SOLUTE ACTIVITY COEFF: 3.44827586
SOLUTE CONCENTRATION .29

140

SOLUTE COORDINATION NUMBER: 2

TEMPERATURE: 1470
SOLUTE ACTIVITY COEFF: 3.003003
SOLUTE CONCENTRATION .333

SOLUTE COORDINATION NUMBER: 2

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 773.592606
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 840.470233
SPREAD ON OUTPUT: 8.6450706

REGULAR SOLUTION PREDITIONS OF Wab: 3415.51169
REGULAR SOLUTION PREDITIONS OF Uab: 3609.71838
SPREAD ON OUTPUT: 5.68602025

SOLUTE NITROGEN METAL
INPUT FROM HANSEN
TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

141

CALCIUM - Ca3N2

1050
52.631579
.019

6

1110
20
.05
6

1150
10
.1

6

0 0 403.314427
0 0 402.122956
0 0 404.650152

SPREAD ON OUTPUT: .331187177

REGULAR SOLUTION PREDITIONS OF Wab:

REGULAR SOLUTION PREDITIONS OF Uab:

REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 24.4005749

1432.0449
1220.18416
1082.61771

SOLUTE NITROGEN METAL CHROMIUM - DELTA H DATA FOR CrNZ -
DENSITY DATA FOR CrN - UNSURE S.T.
INPUT FROM HUMBERT

TEMPERATURE: 1960
SOLUTE ACTIVITY COEFF: 5.81395349
SOLUTE CONCENTRATION .172

SOLUTE COORDINATION NUMBER: 6

TEMPERATURE: 2000
SOLUTE ACTIVITY COEFF: 6.41025641
SOLUTE CONCENTRATION .156

SOLUTE COORDINATION NUMBER: 6

TEMPERATURE: 2040
SOLUTE ACTIVITY COEFF: 7.04225353
SOLUTE CONCENTRATION .142

SOLUTE COORDINATION NUMBER: 6

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

142

2080
7.75193798
.129

6

2130
8.84955753
.113

6

96.48514

05.133292
17.814183
30.438302
47.996915

00000
00000
NNNNO‘

SPREAD ON OUTPUT: 7.39596183

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
17.2977388

SPREAD ON OUTPUT:

1666.55263
1727.4834

1791.29062
1859.47986
1954.82855

INPUT FROM HANSEN - 1$T SAMPLE EXPOSED TO AIR - 2ND TO HYDROGEN

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Wab: 0
QUASI*CHEMICAL PREDICTIONS OF Wab: 0

1900
13.5501355
.0738

6

1920
8.10372771
.1234

6

0 675.164166
0 674.25074

SPREAD ON OUTPUT: .135289455

REGULAR SOLUTION PREDITIONS OF Uab: 1911.75025

REGULAR SOLUTION PREDITIONS OF Uab:
9.43868335

SPREAD ON OUTPUT:

1731.3062

SOLUTE NITROGEN METAL

INPUT FROM ADAMS

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
20.

SPREAD ON OUTPUT:

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
13.

SPREAD ON OUTPUT:

INPUT FROM ADAMS

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

143

LITHIUM - L13N - DENISITY DATA GUESS

500

800
1.25E-03
6

600
168.067227
5.95E-03

6

700
54.9450549
.0182

6

O 0 223.121702
0 0 247.235548
0 O 269.348577
7182333

1109.63264
1030.43686
963.486689
1706607

570
1333.33333
7.5E-04

6

670
149.253731
6.7E-03

6

770
26.6666667
.0375

6

870
15.3846154
.065

6

144

QUASI-CHEMICAL PREDICTIONS OF Web: 0 0 260.46925
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 274.318729
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 284.244263
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 310.96553

SPREAD ON OUTPUT: 19.3866568

REGULAR SOLUTION PREDITIONS OF Uab: 1360.2864

REGULAR SOLUTION PREDITIONS OF Wab: 1125.69525

REGULAR SOLUTION PREDITIONS OF Uab: 903.777566

REGULAR SOLUTION PREDITIONS OF Uab: 900.825673
SPREAD ON OUTPUT: 33.7767638

INPUT FROM HANSEN

TEMPERATURE: 520

SOLUTE ACTIVITY COEFF: 5000
SOLUTE CONCENTRATION 2E-04
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 620

SOLUTE ACTIVITY COEFF: 169.491525
SOLUTE CONCENTRATION 5.9E-03
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 720

SOLUTE ACTIVITY COEFF: 153.846154
SOLUTE CONCENTRATION 6.5E-O3

SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Wab: O 0 249.868406
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 255.476733
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 295.26384
SPREAD ON OUTPUT: 18.1677367

REGULAR SOLUTION PREDITIONS OF Uab: 1467.30431

REGULAR SOLUTION PREDITIONS OF Uab: 1066.43097

REGULAR SOLUTION PREDITIONS OF Uab: 1216.53623
SPREAD ON OUTPUT: 17.0903935

SOLUTE NITROGEN METAL MOLYBDENUM - M02N - DENSITY GUESS - S.T.
UNSURE
INPUT FROM HERMAN
TEMPERATURE: 2090
SOLUTE ACTIVITY COEFF: 5

145

SOLUTE CONCENTRATION .2

SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 2180
SOLUTE ACTIVITY COEFF: 4

SOLUTE CONCENTRATION . .25
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 3250
SOLUTE ACTIVITY COEFF: 3.33333333
SOLUTE CONCENTRATION .3

SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 747.032135
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 800.25783
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 1235.16611
SPREAD ON OUTPUT: 65.3431021

REGULAR SOLUTION PREDITIONS OF Uab: 1740.55261

REGULAR SOLUTION PREDITIONS OF Uab: 1779.24617

REGULAR SOLUTION PREDITIONS OF Uab: 2644.54264
SPREAD ON OUTPUT: 51.9369551

SOLUTE NITROGEN METAL SILICON - $13N4 - DENSITY GUESS

INPUT FROM SCARCE

TEMPERATURE: 2000
SOLUTE ACTIVITY COEFF: 1333.33333
SOLUTE CONCENTRATION 7.5E-04
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 2200
SOLUTE ACTIVITY COEFF: 370.37037
SOLUTE CONCENTRATION 2.7E-03
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 2500
SOLUTE ACTIVITY COEFF: 75.1879699
SOLUTE CONCENTRATION .0133
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 2700
SOLUTE ACTIVITY COEFF: 31.9488818
SOLUTE CONCENTRATION .0313

SOLUTE COORDINATION NUMBER: 6

146

TEMPERATURE: 2900
SOLUTE ACTIVITY COEFF: 15.3139357
SOLUTE CONCENTRATION .0653

SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 913.927194
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 946.583557
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 982.111443
QUASI-CHEMICAL PREDICTIONS OF Web: 0 0 1004.09034
QUASI-CHEMICAL PREDICTIONS OF Wab: O 0 1036.55177
SPREAD ON OUTPUT: 13.417324
REGULAR SOLUTION PREDITIONS OF Uab: 4772.93472

REGULAR SOLUTION PREDITIONS OF Uab: 4332.47388
REGULAR SOLUTION PREDITIONS OF Uab: 3673.66233
REGULAR SOLUTION PREDITIONS OF Uab: 3300.85816
REGULAR SOLUTION PREDITIONS OF Uab: 2999.61824

SPREAD ON OUTPUT: 37.

SOLUTE NITROGEN METAL

INPUT FROM HANSEN

1535876

TITANIUM - TIN

TEMPERATURE: 2330
SOLUTE ACTIVITY COEFF: 20
SOLUTE CONCENTRATION .05
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 2484
SOLUTE ACTIVITY COEFF: 10
SOLUTE CONCENTRATION .1
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 2565
SOLUTE ACTIVITY COEFF: 6.66666667
SOLUTE CONCENTRATION .15
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 2830
SOLUTE ACTIVITY COEFF: S
SOLUTE CONCENTRATION .2
SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

44.095935

0 O 8
O 0 874.044328
0 0 9

02.545774

147

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 1011.53155
SPREAD ON OUTPUT: 19.8360884

REGULAR SOLUTION PREDITIONS OF Uab: 2561.28747

REGULAR SOLUTION PREDITIONS OF Uab: 2338.45425

REGULAR SOLUTION PREDITIONS OF Uab: 2230.442

REGULAR SOLUTION PREDITIONS OF Uab: 2356.82483
SPREAD ON OUTPUT: 7.98280713

148

SOLUTE OXYGEN METAL ANTIMONY - Sb203

INPUT FROM JACOB

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:

1000
5586.59218
1.79E-04

6

1100
1760.56338
5.68E-04

6

1175
847.457628
1.18E-03

6

82.352015

0 O 4
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 508.16551
0 0 5

QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT:

26.568763

9.16690436

REGULAR SOLUTION PREDITIONS OF Wab: 2858.37052

REGULAR SOLUTION PREDITIONS OF Uab: 2725.52642

REGULAR SOLUTION PREDITIONS OF Uab: 2629.74892
SPREAD ON OUTPUT: 7.99831919

SOLUTE OXYGEN METAL BARIUM - B302

INPUT FROM HANSEN

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

1000
5.98802395
.167

6

1170
4.73933649
.211

6

1370
3.6101083
.277

6

149

TEMPERATURE: 1520
SOLUTE ACTIVITY COEFF: 3.14465409
SOLUTE CONCENTRATION .318

SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 355.349561
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 420.625966
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 511.353797
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 585.896048
SPREAD ON OUTPUT: 64.8787875

REGULAR SOLUTION PREDITIONS OF Uab: 854.184659

REGULAR SOLUTION PREDITIONS OF Wab: 968.410202

REGULAR SOLUTION PREDITIONS OF Uab: 1114.20963

REGULAR SOLUTION PREDITIONS OF Uab: 1239.92051
SPREAD ON OUTPUT: 45.1583684

SOLUTE OXYGEN METAL BIMUTH - B10
INPUT FROM GRIFFITH

TEMPERATURE: 670

SOLUTE ACTIVITY COEFF: 30120.4819
SOLUTE CONCENTRATION 3.32E-05
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: ' 770

SOLUTE ACTIVITY COEFF: 6622.51655
SOLUTE CONCENTRATION 1.51E-O4
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 870

SOLUTE ACTIVITY COEFF: 2114.16491
SOLUTE CONCENTRATION 4.73E-04
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 970

SOLUTE ACTIVITY COEFF: 813.00813
SOLUTE CONCENTRATION 1.23E-03
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1020
SOLUTE ACTIVITY COEFF: 546.448088
SOLUTE CONCENTRATION 1.83E-03

SOLUTE COORDINATION NUMBER: 6

OUTPUT

150

QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

SPREAD ON OUTPUT: 31.2113944

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 6.61401169

SOLUTE OXYGEN METAL CALCIUM - DELTA H FOR CaO - DENSITY FOR

C302

INPUT FROM HANSEN
TEMPERATURE: 1110
SOLUTE ACTIVITY COEFF: 666.666667
SOLUTE CONCENTRATION 1.5E-03
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1620
SOLUTE ACTIVITY COEFF: 10
SOLUTE CONCENTRATION .l
SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 15.9052902

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 36.3860303

O O
0 O
O O
0 O
O O

0 0
0 0

2288.40885
2244.21187
2208.01635
2157.79515
2137.05322

4
5

2397.39615
1525.07886

SOLUTE OXYGEN METAL CESIUM - C820

INPUT FROM ADAMS

340.959774
373.761269
405.16418

433.470899
447.378074

91.805775
70.02891

151

TEMPERATURE: 320

SOLUTE ACTIVITY COEFF: 5.07614213
SOLUTE CONCENTRATION .197
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 420

SOLUTE ACTIVITY COEFF: 4.40528634
SOLUTE CONCENTRATION .227
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 520

SOLUTE ACTIVITY COEFF: 3.90625
SOLUTE CONCENTRATION .256
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 620

SOLUTE ACTIVITY COEFF: 3.73134329
SOLUTE CONCENTRATION .268
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 720

SOLUTE ACTIVITY COEFF: 3.28947369
SOLUTE CONCENTRATION .304
SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab'
QUASI-CHEMICAL PREDICTIONS OF Uab
QUASI-CHEMICAL PREDICTIONS OF Uab.
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 139.665207

0 O
0 0
0 0
0 O
0 O

114.378126
152.154632
191.957165
230.145108
274.124573

REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab: 423.901945
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Wab:

266.992463
345.160458

504.574741
586.101788

SPREAD ON OUTPUT: 119.519975

SOLUTE OXYGEN METAL CHROMIUM - Cr203

INPUT FROM HANSEN - CHECKS ONE SOURCE

TEMPERATURE: 2100
SOLUTE ACTIVITY COEFF: 50
SOLUTE CONCENTRATION .02

SOLUTE COORDINATION NUMBER: 6

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

152

2173
33.3333333
.03

6

2373
25
.04
6

2473
20
.05
6

QUASI-CHEMICAL PREDICTIONS OF Uab:

QUASI-CHEMICAL PREDICTIONS OF Uab:

0
QUASI-CHEMICAL PREDICTIONS OF Uab: 0
0
0

QUASI-CHEMICAL PREDICTIONS OF Uab:

SPREAD ON OUTPUT: 11.

4592743

0 803.792211
0 811.074307
0 869.476497
0 895.900965

REGULAR SOLUTION PREDITIONS OF Wab: 2832.79508
REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 4.03533299

SOLUTE OXYGEN METAL COBALT - COO

INPUT FROM HANSEN
TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

1720
118.063754
8.47E-03

6

1760
50
.02
6

1820
25
.04
6

2681.90808
2744.77097
2718.48237

153

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 694.005721
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 673.654425
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 666.85513

SPREAD ON OUTPUT: 3.91215667

REGULAR SOLUTION PREDITIONS OF Uab: 2764.35123

REGULAR SOLUTION PREDITIONS OF Uab: 2374.15207

REGULAR SOLUTION PREDITIONS OF Uab: 2105.13408
SPREAD ON OUTPUT: 23.8470837

INPUT FROM HANSEN - FROM RUSSIAN

TEMPERATURE: 1820
SOLUTE ACTIVITY COEFF: 142.857143
SOLUTE CONCENTRATION 7E-03
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1920
SOLUTE ACTIVITY COEFF: 100

SOLUTE CONCENTRATION .01

SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 745.164308
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 767.063784
SPREAD ON OUTPUT: 2.93887876

REGULAR SOLUTION PREDITIONS OF Wab: 3032.93227
REGULAR SOLUTION PREDITIONS OF Wab: 2987.60474
SPREAD ON OUTPUT: 1.49451178

SOLUTE OXYGEN METAL COPPER - CUZO
INPUT FROM PARLEE

TEMPERATURE: 1223
SOLUTE ACTIVITY COEFF: 143.061517
SOLUTE CONCENTRATION 6.99E-03

SOLUTE COORDINATION NUMBER: 6
OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 500.734038
SPREAD ON OUTPUT: 0

REGULAR SOLUTION PREDITIONS OF Uab: 2038.60997

SPREAD ON OUTPUT: 0

154

SOLUTE OXYGEN METAL COPPER - Cu20 - DIFF DELTA H USED HERE

INPUT FROM HANSEN

TEMPERATURE: 1373
SOLUTE ACTIVITY COEFF: 43.4782609
SOLUTE CONCENTRATION .023
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1473
SOLUTE ACTIVITY COEFF: 14.9253731
SOLUTE CONCENTRATION .067
SOLUTE COORDINATION NUMBER: 6

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Wab: O 0 520.879381
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 525.475223
SPREAD ON OUTPUT: .88232345

REGULAR SOLUTION PREDITIONS OF Uab: 1796.92424
REGULAR SOLUTION PREDITIONS OF Uab: 1514.75428
SPREAD ON OUTPUT: 15.7029412

SOLUTE OXYGEN METAL GALLIUM - Ga203

INPUT FROM ALCOCK

TEMPERATURE: 1050
SOLUTE ACTIVITY COEFF: 58139.5349
SOLUTE CONCENTRATION 1.72E-05
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1150
SOLUTE ACTIVITY COEFF: 14245.0143
SOLUTE CONCENTRATION 7.02E-05
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1250
SOLUTE ACTIVITY COEFF: 4366.81223
SOLUTE CONCENTRATION 2.29E-O4
SOLUTE COORDINATION NUMBER: 6

155

1350
1594.89633
6.27E-04

6

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab
QUASI-CHEMICAL PREDICTIONS OF Uab
QUASI-CHEMICAL PREDICTIONS OF Uab
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 14.4016844

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 13.4673052

INPUT FROM STEVENSON
TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

1023
15174.5068
6.59E-05

6

1123
5555.55556
1.8E-O4

6

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

1223
2403.84615
4.16E-O4

6

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

1323
1661.12957
6.02E-O4

6

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

O O
O O
O O
O O

5
5
5
6

3814.88352
3642.94294
3471.3009

3301.12151

43.673513
72.148287
97.578848
21.971657

10.194408
41.681313
71.837314
09.532224

QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 19.470581

O‘U'UIU!

3262.02474
3207.8839

3155.61021
3252.78598

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab

156

SPREAD ON OUTPUT: .283221816

SOLUTE OXYGEN METAL GERMANIUM 6802
INPUT FROM JACOB

TEMPERATURE: 1230
SOLUTE ACTIVITY COEFF: 1047.12042
SOLUTE CONCENTRATION 9.55E-04
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1330
SOLUTE ACTIVITY COEFF: 421.940928
SOLUTE CONCENTRATION 2.37E-O3
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1400
SOLUTE ACTIVITY COEFF: 240.384615
SOLUTE CONCENTRATION 4.16E-O3

SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 555.877844
QUASI-CHEMICAL PREDICTIONS OF Wab: 0 0 575.675988
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 588.774961
SPREAD ON OUTPUT: 5.91804792

REGULAR SOLUTION PREDITIONS OF Uab: 2837.94369

REGULAR SOLUTION PREDITIONS OF Uab: 2675.13612

REGULAR SOLUTION PREDITIONS OF Wab: 2563.02935
SPREAD ON OUTPUT: 9.68709634

SOLUTE OXYGEN METAL HAFNIUM - HfOZ - S.T. UNSURE
INPUT FROM KARNILOV - RUSSIAN

TEMPERATURE: 2570
SOLUTE ACTIVITY COEFF: 3.33333333
SOLUTE CONCENTRATION .3

SOLUTE COORDINATION NUMBER: 6

TEMPERATURE: 2670
SOLUTE ACTIVITY COEFF: 2.85714286

157

SOLUTE CONCENTRATION .35
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 2770
SOLUTE ACTIVITY COEFF: 2.5
SOLUTE CONCENTRATION .4
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 2860
SOLUTE ACTIVITY COEFF: 2.22222222
SOLUTE CONCENTRATION .45
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 2950
SOLUTE ACTIVITY COEFF: 2
SOLUTE CONCENTRATION .5

6

SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Wab: O O 976.731352
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 1057.81148
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 1152.28875
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 1258.06523
QUASI-CHEMICAL PREDICTIONS OF Wab: 0 0 1382.98854
SPREAD ON OUTPUT: 41.5935442

2091.22295
2197.08513
2334.84029
2500.15179
2708.65745

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Wab:
SPREAD ON OUTPUT: 29.525044

SOLUTE OXYGEN METAL INDIUM - In203
INPUT FROM JACOB

TEMPERATURE: 920
SOLUTE ACTIVITY COEFF: 2551.02041
SOLUTE CONCENTRATION 3.92E-04
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1000
SOLUTE ACTIVITY COEFF: 990.09901
SOLUTE CONCENTRATION 1.01E-03
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1100

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:

158

369.00369
6

31.3049

0 0 4
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 450.671619
0 0 4

QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT:

73.291778

9.7348484

REGULAR SOLUTION PREDITIONS OF Uab: 2391.80821

REGULAR SOLUTION PREDITIONS OF Uab: 2288.9444

REGULAR SOLUTION PREDITIONS OF Uab: 2164.92635
SPREAD ON OUTPUT: 9.48578843

SOLUTE OXYGEN METAL IRON Fe(.947)O...WUSTITE

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

INPUT FROM URIDT - CHECKS ONE SOURCE

1820
159.235669
6.28E-03

6

1920
102.354145
9.77E-03

6

1970
84.0336134
.0119

SOLUTE COORDINATION NUMBER: 6

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 747.55765

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 768.33929

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 780.482628
SPREAD ON OUTPUT: 4.40433972

REGULAR SOLUTION PREDITIONS OF Nab: 3094.78801

REGULAR SOLUTION PREDITIONS OF Uab: 3001.30556

REGULAR SOLUTION PREDITIONS OF Uab: 2960.97029
SPREAD ON OUTPUT: 4.32397041

159

SOLUTE OXYGEN METAL LEAD - PbO

INPUT FROM RAPP

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

1050
2906.97674
3.44E-O4

6

1150
1000
lE-O3
6

SPREAD ON OUTPUT: 4.87986939

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 5.00688927

INPUT FROM HANSEN

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

670
7692.30769
1.3E-04

6

770
3846.15385
2.6E-O4

6

870
1724.13793
5.8E-04

6

970
854.700855
1.17E-03

6

1070
429.184549
2.33E-03

6

0 0
0 0

494.849972
518.998005

2774.97014
2636.03046

160

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 41.9066573

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:

0 0 326.852328
0 0 366.688845
0 0 401.369621
0 O 434.699319

0 4

O 63.825213

1985.90815
2106.06263
2149.66487
2173.6385

2158.06442

SPREAD ON OUTPUT:

INPUT FROM HANSEN
TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

8.66889381

870
5000
2E-O4
6

970
1666.66667
6E-04

6

1030
1000
1E-O3
6

QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

SPREAD ON OUTPUT: 11.1930945

0 0 418.049064
0 O 446.898154
0 0 464.841691

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Wab:
3.82687994

SPREAD ON OUTPUT:

INPUT FROM ALCOCK
TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:

2454.91298
2385.94538
2360.96641

780
13513.5135
7.4E-05

6

870
3144.65409

SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
11.3595941

SPREAD ON OUTPUT:

161

6

970
735.294117
1.36E-03

6

0 O 3
0 0 4
0 0 4

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:

SPREAD ON OUTPUT:

INPUT FROM CHARLE - GERMAN
TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

13.481266

1000
578.034683
1.73E-03

6

1100
199.600798
5.01E-03

6

1143 _
133.868809
7.47E-O3

6

0 O 4
0 0 4
0 O 4

SPREAD ON OUTPUT: 5.70253779

REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:

SPREAD ON OUTPUT:

10.9691367

87.595997
11.630632
31.625329

2457.26514
2321.79882
2125.99469

39.882947

64.967438

2113.4048
1948.83933
1881.58254

162

SOLUTE OXYGEN METAL LEAD - PbO - NEV DELTA a

INPUT FROM RAPP
TEMPERATURE:

SOLUTE ACTIVITY COEFF:

SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:

SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

OUTPUT

1250
408.163265
2.45E-03

6

1350
182.815356
5.47E-03

6

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 540.245319
QUASI-CHEMICAL PREDICTIONS OF Wab: 0 0 558.934998
SPREAD ON OUTPUT: 3.45948003

REGULAR SOLUTION PREDITIONS OF Wab: 2500.81876
REGULAR SOLUTION PREDITIONS OF Uab: 2354.26492
SPREAD ON OUTPUT: 5.86023431

INPUT FROM HANSEN
TEMPERATURE:

SOLUTE ACTIVITY COEFF:

SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

OUTPUT

1170
202.42915
4.94E-03
6

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 487.471282

SPREAD ON OUTPUT:

REGULAR SOLUTION PREDITIONS OF Uab: 2078.07087

SPREAD ON OUTPUT:

INPUT FROM CHARLE - GERMAN

TEMPERATURE:

SOLUTE ACTIVITY COEFF:

SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:

SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

OUTPUT

1240
53.4759358
.0187

6

1340
28.9017341
.0346

6

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 476.295133
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 495.576663

163
SPREAD ON OUTPUT: 4.04823172
REGULAR SOLUTION PREDITIONS OF Uab: 1696.93004

REGULAR SOLUTION PREDITIONS OF Uab: 1601.69607
SPREAD ON OUTPUT: 5.61213311

SOLUTE OXYGEN METAL LITHIUM - L120
INPUT FROM ADAMS - 7

TEMPERATURE: 570

SOLUTE ACTIVITY COEFF: 10101.0101

SOLUTE CONCENTRATION 9.9E-05

SOLUTE COORDINATION NUMBER: 6

TEMPERATURE: 670

SOLUTE ACTIVITY COEFF: 2049.18033

SOLUTE CONCENTRATION 4.88E-04

SOLUTE COORDINATION NUMBER: 6

TEMPERATURE: 770

SOLUTE ACTIVITY COEFF: 602.409638

SOLUTE CONCENTRATION 1.66E-03

SOLUTE COORDINATION NUMBER: 6

TEMPERATURE: 870

SOLUTE ACTIVITY COEFF: 235.294118

SOLUTE CONCENTRATION 4.25E-03

SOLUTE COORDINATION NUMBER: 6

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 280.489205
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 311.60631
QUASI-CHEMICAL PREDICTIONS 0F Wab: 0 0 339.201038
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 365.315356

SPREAD ON OUTPUT: 30.2422159

REGULAR SOLUTION PREDITIONS OF Uab: 1740.83172

REGULAR SOLUTION PREDITIONS OF Uab: 1693.5435

REGULAR SOLUTION PREDITIONS OF Wab: 1637.66096

REGULAR SOLUTION PREDITIONS OF Uab: 1586.80806
SPREAD ON OUTPUT: 8.84770549

INPUT FROM ASTM SPEC TECH PUBL
TEMPERATURE: 520
SOLUTE ACTIVITY COEFF: 104166.667

164

SOLUTE CONCENTRATION 9.6E-O6
SOLUTE COORDINATION NUMBER: 6

TEMPERATURE: 570

SOLUTE ACTIVITY COEFF: 48780.4878

SOLUTE CONCENTRATION 2.05E-05
SOLUTE COORDINATION NUMBER: 6

TEMPERATURE: 670

SOLUTE ACTIVITY COEFF: 15384.6154

SOLUTE CONCENTRATION 6.5E-05
SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 22.1624695

REGULAR SOLUTION PREDITIONS OF Wab:

REGULAR SOLUTION PREDITIONS OF Uab:

REGULAR SOLUTION PREDITIONS OF Wab:
SPREAD ON OUTPUT: 7.52868789

SOLUTE OXYGEN METAL MANGANEESE
INPUT FROM HANSEN
TEMPERATURE: 1670

SOLUTE ACTIVITY COEFF: 1557.6324

SOLUTE CONCENTRATION 6.42E-04
SOLUTE COORDINATION NUMBER: 6

TEMPERATURE: 1770

0 O 273.525021
0 0 293.790332
0 0 334.14492

1989.67054
2037.8179
2139.46663

- MnO

SOLUTE ACTIVITY COEFF: 1070.66381

SOLUTE CONCENTRATION 9.34E-04
SOLUTE COORDINATION NUMBER: 6

TEMPERATURE: 1870

SOLUTE ACTIVITY COEFF: 763.358779

SOLUTE CONCENTRATION 1.31E-03
SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 8.59824295

0 0 767.313685
0 0 801.037218
0 0 833.289181

165

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab: 4121.41438

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
11.6315068

SPREAD ON OUTPUT:

SPREAD ON OUTPUT: 1.24732351
INPUT FROM JACOB
TEMPERATURE: 1500
SOLUTE ACTIVITY COEFF: 5586.59218
SOLUTE CONCENTRATION 1.79E-04
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1600
SOLUTE ACTIVITY COEFF: 2336.4486
SOLUTE CONCENTRATION 4.28E-04
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1700
SOLUTE ACTIVITY COEFF: 1084.5987
SOLUTE CONCENTRATION 9.22E-04
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1800
SOLUTE ACTIVITY COEFF: 546.448088
SOLUTE CONCENTRATION 1.83E-03
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1900
SOLUTE ACTIVITY COEFF: 297.619048
SOLUTE CONCENTRATION 3.36E-03
SOLUTE COORDINATION NUMBER: 6

00000

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:

SPREAD ON OUTPUT:

15.8469947

4070.64033
4096.7562

0 723.528023
0 747.11777

0 769.357779
0 789.490718
0 807.685234

4287.55577
4113.37141
3941.93658
3771.27039
3608.10704

166

SOLUTE OXYGEN METAL NEODYNIUM - Nd203 - UNSURE S.T. & PHASE

INPUT FROM HANSEN

TEMPERATURE: 1300
SOLUTE ACTIVITY COEFF: 20
SOLUTE CONCENTRATION .05
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1400
SOLUTE ACTIVITY COEFF: 10
SOLUTE CONCENTRATION .1
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1470
SOLUTE ACTIVITY COEFF: 6.66666667
SOLUTE CONCENTRATION .15
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1540
SOLUTE ACTIVITY COEFF: 5
SOLUTE CONCENTRATION .2

SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 470.954814
QUASI-CHEMICAL PREDICTIONS OF Wab: 0 0 492.617577
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 517.248456
QUASI-CHEMICAL PREDICTIONS OF Wab: 0 0 550.444731
SPREAD ON OUTPUT: 16.8784595

REGULAR SOLUTION PREDITIONS OF Uab: 1429.04451
REGULAR SOLUTION PREDITIONS OF Wab: 1317.96938
REGULAR SOLUTION PREDITIONS OF Uab: 1278.265
REGULAR SOLUTION PREDITIONS OF Wab: 1282.51245

SPREAD ON OUTPUT: 10.2538485

SOLUTE OXYGEN METAL NICKEL - N10 - (1620-1725)
INPUT FROM URIEDT

TEMPERATURE: 1620
SOLUTE ACTIVITY COEFF: 24509.8039
SOLUTE CONCENTRATION 4.08E-05

SOLUTE COORDINATION NUMBER: 6

TEMPERATURE: 1720

167

SOLUTE ACTIVITY COEFF: 10493.1794
SOLUTE CONCENTRATION 9.53E-05
SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O O
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0
SPREAD ON OUTPUT: 3.39785536

19.581303

8
847.429489

REGULAR SOLUTION PREDITIONS OF Uab: 5422.65488
REGULAR SOLUTION PREDITIONS OF Wab: 5274.69767
SPREAD ON OUTPUT: 2.7285015

SOLUTE OXYGEN METAL NICKEL - N10 (1725-2000)
INPUT FROM URIEDT

TEMPERATURE: 1820
SOLUTE ACTIVITY COEFF: 4926.10838
SOLUTE CONCENTRATION 2.03E-O4
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1920
SOLUTE ACTIVITY COEFF: 2506.26566
SOLUTE CONCENTRATION 3.99E-04
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: . 1970
SOLUTE ACTIVITY COEFF: 1831.50183
SOLUTE CONCENTRATION 5.46E-04

SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 874.539422
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 900.114574
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 911.307239
SPREAD ON OUTPUT: 4.20424927

REGULAR SOLUTION PREDITIONS OF Uab: 5126.61855

REGULAR SOLUTION PREDITIONS OF Uab: 4980.40658

REGULAR SOLUTION PREDITIONS OF Uab: 4906.75466
SPREAD ON OUTPUT: 4.28867273

INPUT FROM KIMORA
TEMPERATURE: 1730
SOLUTE ACTIVITY COEFF: 93.457944

SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

SPREAD ON OUTPUT:

168

.0107
6

1830
42.3728814
.0236

6

88.855553

0 0 6
0 0 693.011477

.603308567

REGULAR SOLUTION PREDITIONS OF Uab: 2656.16129
REGULAR SOLUTION PREDITIONS OF Uab: 2381.6004

SPREAD ON OUTPUT:

10.3367553

SOLUTE OXYGEN METAL NIOBIUM - Nb204

INPUT FROM HANSEN

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

2640
20
.05
6

2590
10
.1

6

2545
6.6666666?
.15

6

2480
5

.2

6

56.400545
11.342517

0 0 9

O 0 9
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 895.508381

0 O 8

QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT:

86.430476

7.3159796

169

REGULAR SOLUTION PREDITIONS OF Uab: 2902.05962

REGULAR SOLUTION PREDITIONS OF Uab: 2438.24336

REGULAR SOLUTION PREDITIONS OF Uab: 2213.05064

REGULAR SOLUTION PREDITIONS OF Uab: 2065.34473
SPREAD ON OUTPUT: 28.831761

SOLUTE OXYGEN METAL PLUTONIUM - Pb02

INPUT FROM HANSEN

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

1700
10
.1

6

1920
5
.2

SOLUTE COORDINATION NUMBER: 6

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab: O O 598.178486
QUASI-CHEMICAL PREDICTIONS OF Wab: O O 686.268756

SPREAD ON OUTPUT:

14.726419

REGULAR SOLUTION PREDITIONS OF Wab: 1600.3914
REGULAR SOLUTION PREDITIONS OF Uab: 1598.97656
SPREAD ON OUTPUT: .0884053514

INPUT FROM HANSEN

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:

1685
20
.05
6

1815
10
.1

6

1930
6.66666667
.15

6

2040

170

SOLUTE ACTIVITY COEFF: 5
SOLUTE CONCENTRATION .2
SOLUTE COORDINATION NUMBER: 6

OUTPUT '
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 610.429893
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 638.643501
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 679.108517
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 729.160553

SPREAD ON OUTPUT: 19.4503351
REGULAR SOLUTION PREDITIONS OF Uab: 1852.26154
REGULAR SOLUTION PREDITIONS OF Uab: 1708.65317
REGULAR SOLUTION PREDITIONS OF Uab: 1678.2663
REGULAR SOLUTION PREDITIONS OF Uab: 1698.9126

SPREAD ON OUTPUT:

8.2790112

SOLUTE OXYGEN METAL POTASSIUM - K20

INPUT FROM ADAMS

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:

370
416.666667
2.4E-03

6

470
149.253731
6.7E-03

6

570
68.4931507
.0146

6

670
27.027027
.037

6

770
11.4942529
.087

6

820
8.33333333

171

SOLUTE CONCENTRATION .12
SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL
QUASI-CHEMICAL
QUASI-CHEMICAL
QUASI-CHEMICAL
QUASI-CHEMICAL

PREDICTIONS OF Uab:
PREDICTIONS OF Uab:
PREDICTIONS OF Uab:
PREDICTIONS OF Uab:
PREDICTIONS OF Uab:

60.150463
92.432541
22.393977
47.329424
72.012592

QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT:

000000
000000
NNNNHH

87.961254

79.806694?

REGULAR SOLUTION PREDITIONS OF Uab: 742.706838

REGULAR SOLUTION PREDITIONS OF Uab: 789.666817

REGULAR SOLUTION PREDITIONS OF Uab: 821.677222

REGULAR SOLUTION PREDITIONS OF Uab: 788.799032

REGULAR SOLUTION PREDITIONS OF Uab: 746.989099

REGULAR SOLUTION PREDITIONS OF Uab: 743.506842
SPREAD ON OUTPUT: .107714577

SOLUTE OXYGEN METAL SCANDIUM - Sc203

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:

INPUT FROM KUPRASHVILI - RUSSIAN - CHECKS ONE SOURCE

1830
2.94117647
.34

6

2070
2.7027027
.37

6

2270
2.5
.4

6

17.680851

0 O 7
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 835.227816
0 0 9

QUASI-CHEMICAL PREDICTIONS OF Uab:

44.29439

SPREAD ON OUTPUT: 31.5758096

REGULAR SOLUTION PREDITIONS OF Uab: 1500.91004
REGULAR SOLUTION PREDITIONS OF Uab: 1717.24577

172

REGULAR SOLUTION PREDITIONS OF Uab: 1913.38897
SPREAD ON OUTPUT: 27.4819227

SOLUTE OXYGEN METAL SILICON - $102 - THO UIDELY DIFFER SOURCES
INPUT FROM HANSEN

TEMPERATURE: 1650
SOLUTE ACTIVITY COEFF: 4.16666667
SOLUTE CONCENTRATION .24

SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1770
SOLUTE ACTIVITY COEFF: 3.33333333
SOLUTE CONCENTRATION .3

SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1850
SOLUTE ACTIVITY COEFF: 2.5

SOLUTE CONCENTRATION .4

SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 O 602.29757
QUASI-CHEMICAL PREDICTIONS OF Uab: 0 0 672.690464
QUASI-CHEMICAL PREDICTIONS OF Wab: 0 0 769.579128
SPREAD ON OUTPUT: 27.7739055

REGULAR SOLUTION PREDITIONS OF Wab: 1350.09012

REGULAR SOLUTION PREDITIONS OF Uab: 1440.25861

REGULAR SOLUTION PREDITIONS OF Uab: 1559.36987
SPREAD ON OUTPUT: 15.5011686

INPUT FROM ARKHAROV - RUSSIAN

TEMPERATURE: 1688

SOLUTE ACTIVITY COEFF: 25125.6281

SOLUTE CONCENTRATION 3.98E-05

SOLUTE COORDINATION NUMBER: 6

TEMPERATURE: 1873

SOLUTE ACTIVITY COEFF: 1023.54145

SOLUTE CONCENTRATION 9.77E-04

SOLUTE COORDINATION NUMBER: 6

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab: O O 853.983481
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 845.289793

173

SPREAD ON OUTPUT: 1.01801588

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:

SPREAD ON OUTPUT: 23.9503393

5664.13422
4307.55486

SOLUTE OXYGEN METAL SODIUM - N820

INPUT FROM ADAMS

TEMPERATURE: 370

SOLUTE ACTIVITY COEFF: 250000
SOLUTE CONCENTRATION 4E-O6
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 470

SOLUTE ACTIVITY COEFF: 25641.0256
SOLUTE CONCENTRATION 3.9E-05
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 570

SOLUTE ACTIVITY COEFF: 5405.40541
SOLUTE CONCENTRATION 1.85E-O4
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 670

SOLUTE ACTIVITY COEFF: 1869.15888
SOLUTE CONCENTRATION 5.35E-04
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 770

SOLUTE ACTIVITY COEFF: 854.700855
SOLUTE CONCENTRATION 1.17E-03
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 820
SOLUTE ACTIVITY COEFF: 617.283951
SOLUTE CONCENTRATION 1.62E-03
SOLUTE COORDINATION NUMBER: 6

OUTPUT

QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

SPREAD ON OUTPUT: 82.3083569

98.713984
38.060292
74.592052
10.354705
45.070594
62.272199

OOOOOO
OOOOOC
UUU’NNH

174

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
SPREAD ON OUTPUT: 14.9392993
INPUT FROM HANSEN
TEMPERATURE: 520
SOLUTE ACTIVITY COEFF: 4166.66667
SOLUTE CONCENTRATION 2.4E-04
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 645
SOLUTE ACTIVITY COEFF: 2000
SOLUTE CONCENTRATION 5E-O4
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 705
SOLUTE ACTIVITY COEFF: 1000
SOLUTE CONCENTRATION 1E-03
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 805
SOLUTE ACTIVITY COEFF: 400
SOLUTE CONCENTRATION 2.5E-O3

SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Wab:

QUASI-CHEMICAL PREDICTIONS OF Wab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
SPREAD ON OUTPUT: 40.1350189

0 0
QUASI-CHEMICAL PREDICTIONS OF Wab: 0 0
0 0
0 0

REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Wab:
SPREAD ON OUTPUT: 11.7872622

SOLUTE OXYGEN METAL TIN - Sn02

1522.98476
1580.25719
1623.06486
1673.27862
1725.46562
1750.50801

248.273407
299.577826
318.168342
347.917985

1436.00966
1625.19656
1616.00128
1605.27589

175

INPUT FROM PARLEE

TEMPERATURE: 1223
SOLUTE ACTIVITY COEFF: 176.678445
SOLUTE CONCENTRATION 5.66E-03
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 1523
SOLUTE ACTIVITY COEFF: 45.4545455
SOLUTE CONCENTRATION .022

SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 505.552486
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 578.81784
SPREAD ON OUTPUT: 14.4921361

REGULAR SOLUTION PREDITIONS OF Wab: 2119.61748
REGULAR SOLUTION PREDITIONS OF Uab: 2012.60383
SPREAD ON OUTPUT: 5.04872471

INPUT FROM ALCOCK

TEMPERATURE: 810

SOLUTE ACTIVITY COEFF: 76923.0769
SOLUTE CONCENTRATION 1.3E-05
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 870

SOLUTE ACTIVITY COEFF: 24390.2439
SOLUTE CONCENTRATION 4.1E-05
SOLUTE COORDINATION NUMBER: 6
TEMPERATURE: 970

SOLUTE ACTIVITY COEFF: 4830.91788
SOLUTE CONCENTRATION 2.07E-04

SOLUTE COORDINATION NUMBER: 6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 422:743447
QUASI-CHEMICAL PREDICTIONS OF Uab: O O 440.145515
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 465.506358
SPREAD ON OUTPUT: 10.1155706

REGULAR SOLUTION PREDITIONS OF Uab: 3017.98525

REGULAR SOLUTION PREDITIONS OF Uab: 2910.75869

REGULAR SOLUTION PREDITIONS OF Uab: 2726.06981
SPREAD ON OUTPUT: 9.67252713

INPUT FROM RAPP
TEMPERATURE: 1020
SOLUTE ACTIVITY COEFF: 2061.85567

SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:

176

4.85E-O4
6

1120
549.450549
1.82E-03

6

1220
182.149363
5.49E-03

6

74.385725

0 0 4
QUASI-CHEMICAL PREDICTIONS OF Uab: O 0 491.238669
0 0 5

QUASI-CHEMICAL PREDICTIONS OF Uab:

05.111627

SPREAD ON OUTPUT: 6.47698715

REGULAR SOLUTION PREDITIONS OF Uab: 2580.29994
REGULAR SOLUTION PREDITIONS OF Wab: 2348.56102
REGULAR SOLUTION PREDITIONS OF Uab: 2126.15264

SPREAD ON OUTPUT:

17.6005625

SOLUTE OXYGEN METAL TITANIUM - T10

INPUT FROM HANSEN

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

TEMPERATURE:
SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION

SOLUTE COORDINATION NUMBER:

2085
20
.05
6

2135
10
.1

6

2180
6.66666667
.15

6

2205
5

.2

6

OUTPUT
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:
QUASI-CHEMICAL PREDICTIONS OF Uab:

177

SPREAD ON OUTPUT: 4.3421172

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Wab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:

SPREAD ON OUTPUT:

19.879989

0 0
O 0
0 O
0 0

755.339067
751.241804
767.075941
788.136774

2291.96754
2009.90331
1895.6583

1836.32465

SOLUTE OXYGEN METAL URANIUM - U02 - S.T. UNSURE

INPUT FROM HANSEN

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

TEMPERATURE:

SOLUTE ACTIVITY COEFF:
SOLUTE CONCENTRATION
SOLUTE COORDINATION NUMBER:

OUTPUT

1380
120918.984
8.27E-O6

6

1470
105374.078
9.49E-06

6

1670
70921.9858
1.41E-05

6

1870
51282.0513
1.95E-05

6

2070
34482.7586
2.9E-05

6

2270
20161.2903
4.96E-05

6

QUASI-CHEMICAL
QUASI-CHEMICAL
QUASI-CHEMICAL
QUASI-CHEMICAL
QUASI-CHEMICAL
QUASI-CHEMICAL

SPREAD ON

REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:
REGULAR SOLUTION PREDITIONS OF Uab:

SPREAD ON

178

PREDICTIONS OF Uab:
PREDICTIONS OF Uab:
PREDICTIONS OF Uab:
PREDICTIONS OF Uab:
PREDICTIONS OF Uab:
PREDICTIONS OF Uab:
OUTPUT: 56.751024

OUTPUT: 39.3254053

0 0 728.313503
0 0 773.234194
0 0 869.618682
0 0 964.943987
0 0 1057.10632
0 0 1141.63887

5348.41984
5630.25472
6177.35672
6716.43113
7162.82336
7451.70762

179

Surface Tension Theory output

OUTPUT FOR CARBON AND METAL ALUMINUM - NONE??

INPUT FROM HANSEN
TEMPERATURE: 1070
SOLUTE MAXIMUM SOL: 2.2E-03
METAL SURFACE TENSION: 813

TEMPERATURE: 1270
SOLUTE MAXIMUM SOL: 3.1E-03
METAL SURFACE TENSION: 783

TEMPERATURE: 1370
SOLUTE MAXIMUM SOL: 3.5E-03
METAL SURFACE TENSION: 768

TEMPERATURE: 1470
SOLUTE MAXIMUM SOL: 7.1E-03
METAL SURFACE TENSION: 753

OUTPUT
CALC MAX SOLUBILTY: .178022114
CALC MAX SOLUBILTY: .246497082
CALC MAX SOLUBILTY: .279901839
CALC MAX SOLUBILTY: .312385119

SOLUTE RADIUS N/ECOM: 9.40547641E-09
SOLUTE RADIUS N/ECOM: 1.01445137E-08
SOLUTE RADIUS N/ECOM: 1.05263806E-08
SOLUTE RADIUS N/ECOM: 1.03001728E-08

OUTPUT FOR CARBON AND METAL ANTIMONY - NONE

INPUT FROM HANSEN
TEMPERATURE: 1330
SOLUTE MAXIMUM SOL: 3.36E-O3
METAL SURFACE TENSION: 350

TEMPERATURE: 1540
SOLUTE MAXIMUM SOL: 6.91E-03
METAL SURFACE TENSION: 342

TEMPERATURE: 1600

SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

180

335

.550053554
.603849582
.621526583

1.54188894E-08
1.56862047E-08
1.56190736E-08

OUTPUT FOR CARBON AND METAL BISMUTH - NONE

INPUT FROM GRIFFITH
TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

570
2.75E-05
362

670
3.42E-05
360

770
4.01E-05
357

870
4.54E-05
353

970
348

1070
343

.236325548
.29509456

.348851637
.397874628
.442684556

181
CALC MAX SOLUBILTY: .482813377

SOLUTE RADIUS N/ECOM: 1.34768553E-08
SOLUTE RADIUS N/ECOM: 1.44989138E-08
SOLUTE RADIUS N/ECOM: 1.54872242E—08
SOLUTE RADIUS N/ECOM: 1.64533988E-08
SOLUTE RADIUS N/ECOM: 1.74112478E-08
SOLUTE RADIUS N/ECOM: 1.83812947E-08

OUTPUT FOR CARBON AND METAL CERIUM - NONE - S.T. GUESS

INPUT FROM GTE
TEMPERATURE: 870
SOLUTE MAXIMUM SOL: .255
METAL SURFACE TENSION: 1020

TEMPERATURE: 1070

SOLUTE MAXIMUM SOL: .3
METAL SURFACE TENSION: 1000

OUTPUT
CALC MAX SOLUBILTY: .0697363813
CALC MAX SOLUBILTY: .119694376

SOLUTE RADIUS N/ECOM: 3.57805019E-O9
SOLUTE RADIUS N/ECOM: 3.76169527E-09

OUTPUT FOR CARBON AND METAL CHROMIUM - NONE - UNSURE S.T. DATA

INPUT FROM HANSEN

TEMPERATURE: 1750
SOLUTE MAXIMUM SOL: .136
METAL SURFACE TENSION: 1720
TEMPERATURE: 1830
SOLUTE MAXIMUM SOL: .15

METAL SURFACE TENSION: 1700
TEMPERATURE: 1950

182

SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 1680

TEMPERATURE: 2080
SOLUTE MAXIMUM SOL: .3
METAL SURFACE TENSION: 1640

OUTPUT
CALC MAX SOLUBILTY: .107262933
CALC MAX SOLUBILTY: .121231472
CALC MAX SOLUBILTY: .141294685
CALC MAX SOLUBILTY: .166806653

SOLUTE RADIUS N/ECOM: 4.72194106E-O9
SOLUTE RADIUS N/ECOM: 4.73622E-09

SOLUTE RADIUS N/ECOM: 4.52984313E-09
SOLUTE RADIUS N/ECOM: 4.09544847E-09

INPUT FROM GTE
TEMPERATURE: 1800
SOLUTE MAXIMUM SOL: .145
METAL SURFACE TENSION: 1705

TEMPERATURE: 1910
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 1689

TEMPERATURE: 1990
SOLUTE MAXIMUM SOL: .25
METAL SURFACE TENSION: 1673

OUTPUT
CALC MAX SOLUBILTY: .116306003
CALC MAX SOLUBILTY: .134177337
CALC MAX SOLUBILTY: .148142165

SOLUTE RADIUS N/ECOM: 4.73206829E-09
SOLUTE RADIUS N/ECOM: 4.47118208E-09
SOLUTE RADIUS N/ECOM: 4.255883E-09

ss
OUTPUT POR CARBON AND METAL COBALT — Co3C - DENSITY Is CUE

INPUT FROM HANSEN - CHECKS WITH ONE SOURCE
TEMPERATURE: 1620

SOLUTE MAXIMUM SOL:

METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:

METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:

METAL SURFACE TENSION:

OUTPUT
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

.12
1880

1720
.132
1855

1820
.143
1830

.0716502962
.0863203477
.101887004

183

SOLUTE RADIUS N/ECOM: 4.47978208E-09
SOLUTE RADIUS N/ECOM: 4.54133105E-09
SOLUTE RADIUS N/ECOM: 4.60938899E-09

OUTPUT FOR CARBON AND METAL COPPER - NONE

INPUT FROM HANSEN
TEMPERATURE:
SOLUTE MAXIMUM SOL:

METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:

METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:

METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:

METAL SURFACE TENSION:

OUTPUT
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUB ILTY:

1370
1300

1570
7.94E-06
1282

1770
2.65E-05
1265

1970
1.59E-04
1247

.115862269
.156492968
.197236299
.237451619

184

SOLUTE RADIUS N/ECOM: 1.18582574E-08
SOLUTE RADIUS N/ECOM: 1.2568683E-08
SOLUTE RADIUS N/ECOM: 1.27265706E-08
SOLUTE RADIUS N/ECOM: 1.2319783lE-08

OUTPUT FOR CARBON AND METAL GERMANIUM - NONE - S.T. UNSURE DUE
TO HIGH TEMPS

INPUT FROM SCARCE
TEMPERATURE: 3000
SOLUTE MAXIMUM SOL: .0133
METAL SURFACE TENSION: 330

TEMPERATURE: 3100
SOLUTE MAXIMUM SOL: .0255
METAL SURFACE TENSION: 320

TEMPERATURE: 3200
SOLUTE MAXIMUM SOL: .047
METAL SURFACE TENSION: 310

TEMPERATURE: 3300
SOLUTE MAXIMUM SOL: .0833
METAL SURFACE TENSION: 300

OUTPUT
CALC MAX SOLUBILTY: .778913588
CALC MAX SOLUBILTY: .790991394
CALC MAX SOLUBILTY: .802484369
CALC MAX SOLUBILTY: .813432872

SOLUTE RADIUS N/ECOM: 2.07696163E-08
SOLUTE RADIUS N/ECOM: 1.97591221E-08
SOLUTE RADIUS N/ECOM: 1.86195168E-08
SOLUTE RADIUS N/ECOM: 1.73288493E-08

OUTPUT FOR CARBON AND METAL HAFNIUM - NONE - S.T. UNSURE

INPUT FROM HANSEN

\
V

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:

SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT

185

2480
.095
1600

2820
.15
1560

3160
.2
1530

3400
.25
1500

3685
.3
1480

CALC MAX SOLUBILTY: .230979527
CALC MAX SOLUBILTY: .284641434
CALC MAX SOLUBILTY: .33294923

CALC MAX SOLUBILTY: .367110306
CALC MAX SOLUBILTY: .4016145

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

INPUT FROM GTE
TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:

SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT

6.33054709E-O9
6.13752167E-09
6.04252315E-09
5.87496036E-09
5.73825192E-09

2630
.05
1580

3110
.07
1535

3680
.15
1480

4080
.3
1440

CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

186

.255489575
.325921683
.401117013
.448577268

7.40089451E-09
7.69289477E-09
7.19819877E-09
6.12125621E-09

OUTPUT FOR CARBON AND METAL IRON - Fe3C

INPUT FROM TURKOGAN
TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

1570
.1855
1840

1670
.1948
1820

1770
.2035
1800

1870
.2116
1780

.0698059965
.0841268478
.0992702754
.115084184

3.97361364E-09
4.06039816E-09
4.14684185E-09
4.23338693E-09

INPUT FROM .GRIGOROVICH - Fe-GRAPHITE EQUIL

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

1420
.171
1830

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:

SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT

187

1710
.2
1785

2300
.25
1725

2600
.3
1680

CALC MAX SOLUBILTY: .0535445944
CALC MAX SOLUBILTY: .0933841283

CALC MAX SOLUBILTY: .1

82034699

CALC MAX SOLUBILTY: .23045937

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

INPUT FROM GIRGOROVICH -
TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:

SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT

3.87979375E-09
4.1152805E-09

4.50588891E-09
4.52401208E-09

Fe3C-Fe EQUIL
1420
.171
1730

1500
.2
1745

1670
.25
1775

CALC MAX SOLUBILTY: .0628325556
CALC MAX SOLUBILTY: .0711896616
CALC MAX SOLUBILTY: .0894367283

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

3.9903513E-09
3.89823854E-O9
3.78503735E-O9

188

OUTPUT FOR CARBON AND METAL LITHIUM - NONE

INPUT FROM ADAMS
TEMPERATURE: 570
SOLUTE MAXIMUM SOL: .0105
METAL SURFACE TENSION: 386

TEMPERATURE: 670
SOLUTE MAXIMUM SOL: .017
METAL SURFACE TENSION: 370

TEMPERATURE: 770
SOLUTE MAXIMUM SOL: .0235
METAL SURFACE TENSION: 354

TEMPERATURE: 870
SOLUTE MAXIMUM SOL: .03
METAL SURFACE TENSION: 338

OUTPUT
CALC MAX SOLUBILTY: .214770916
CALC MAX SOLUBILTY: .285258046
CALC MAX SOLUBILTY: .351952554
CALC MAX SOLUBILTY: .413765424

SOLUTE RADIUS N/ECOM: 8.59680605E-09
SOLUTE RADIUS N/ECOM: 9.002421E-09

SOLUTE RADIUS N/ECOM: 9.46643497E-09
SOLUTE RADIUS N/ECOM: 9.95692342E-09

INPUT FROM HANSEN
TEMPERATURE: 680
SOLUTE MAXIMUM SOL: .016
METAL SURFACE TENSION: 372

TEMPERATURE: 830
SOLUTE MAXIMUM SOL: .02
METAL SURFACE TENSION: 346

TEMPERATURE: 970
SOLUTE MAXIMUM SOL: .032
METAL SURFACE TENSION: 322

TEMPERATURE: 1070
SOLUTE MAXIMUM SOL: .052
METAL SURFACE TENSION: 306

TEMPERATURE: 1170
SOLUTE MAXIMUM SOL: .091
METAL SURFACE TENSION: 290

189

OUTPUT
CALC MAX SOLUBILTY: .288634177
CALC MAX SOLUBILTY: .387950628
CALC MAX SOLUBILTY: .470473965
CALC MAX SOLUBILTY: .522264571
CALC MAX SOLUBILTY: .569498454

SOLUTE RADIUS N/ECOM: 9.11198243E-09
SOLUTE RADIUS N/ECOM: 1.01527825E-08
SOLUTE RADIUS N/ECOM: 1.06720529E-08
SOLUTE RADIUS N/ECOM: 1.06562488E-08
SOLUTE RADIUS N/ECOM: 1.03062789E-08

INPUT FROM HANSEN
TEMPERATURE: 1010
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 316

TEMPERATURE: 1055
SOLUTE MAXIMUM SOL: .1
METAL SURFACE TENSION: 309

TEMPERATURE: 1070
SOLUTE MAXIMUM SOL: .15
METAL SURFACE TENSION: 306

TEMPERATURE: 1090
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 303

OUTPUT
CALC MAX SOLUBILTY: .491320232
CALC MAX SOLUBILTY: .514131755
CALC MAX SOLUBILTY: .522264571
CALC MAX SOLUBILTY: .531841125

SOLUTE RADIUS N/ECOM: 1.02553864E-08
SOLUTE RADIUS N/ECOM: 9.29262086E-09

SOLUTE RADIUS N/ECOM: 8.53614845E-09
SOLUTE RADIUS N/ECOM: 7.97466471E-09

OUTPUT FOR CARBON AND METAL MANGANEESE - Mn3C - S.T. UNSURE

INPUT FROM HANSEN

190

TEMPERATURE: 1620
SOLUTE MAXIMUM SOL: .2636
METAL SURFACE TENSION: 1090

TEMPERATURE: 1720
SOLUTE MAXIMUM SOL: .272
METAL SURFACE TENSION: 1070

TEMPERATURE: 1820
SOLUTE MAXIMUM SOL: .2796
METAL SURFACE TENSION: 1050

TEMPERATURE: 1870
SOLUTE MAXIMUM SOL: .2868
METAL SURFACE TENSION: 1040

OUTPUT
CALC MAX SOLUBILTY: .21690522
CALC MAX SOLUBILTY: .243404967
CALC MAX SOLUBILTY: .269704275
CALC MAX SOLUBILTY: .28273523

SOLUTE RADIUS N/ECOM: 4.66546829E-09
SOLUTE RADIUS N/ECOM: 4.79461133E-09
SOLUTE RADIUS N/ECOM: 4.92579693E-09
SOLUTE RADIUS N/ECOM: 4.96664993E-09

INPUT FROM HANSEN
TEMPERATURE: 1500
SOLUTE MAXIMUM SOL: .057
METAL SURFACE TENSION: 1114

TEMPERATURE: 1565
SOLUTE MAXIMUM SOL: .15
METAL SURFACE TENSION: 1103

TEMPERATURE: 1590
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 1096

TEMPERATURE: 1610
SOLUTE MAXIMUM SOL: .25
METAL SURFACE TENSION: 1092

OUTPUT
CALC MAX SOLUBILTY: .185092247
CALC MAX SOLUBILTY: .201720384
CALC MAX SOLUBILTY: .208941305
CALC MAX SOLUBILTY: .214250597

SOLUTE RADIUS N/ECOM: 6.50918022E-09

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

INPUT FROM HANSEN
TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:

SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT

191

5.43751162E-09
5.06423421E-09
4.73819283E-09

1580
.265
1094

1620
.272
1090

1720
.28
1070

1870
.292
1040

CALC MAX SOLUBILTY: .207476706
CALC MAX SOLUBILTY: .21690522
CALC MAX SOLUBILTY: .243404967
CALC MAX SOLUBILTY: .28273523

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

OUTPUT FOR CARBON AND METAL MOLYBDENUM - M020 - S.T. UNSURE

INPUT FROM RUDY
TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:

4.58993427E-09
4.61025907E-O9
4.7409357E-09

4.93079338E-09

2470
.17
1065

2600
.2
1090

2700
.25

192

METAL SURFACE TENSION: 1110

OUTPUT
CALC MAX SOLUBILTY: .375546342
CALC MAX SOLUBILTY: .38587368
CALC MAX SOLUBILTY: .393056411

SOLUTE RADIUS N/ECOM: 6.71867489E-09
SOLUTE RADIUS N/ECOM: 6.49372544E-09
SOLUTE RADIUS N/ECOM: 6.08599379E-09

OUTPUT FOR CARBON AND METAL NICKEL - N13C

INPUT FROM HANSEN
TEMPERATURE: 1620
SOLUTE MAXIMUM SOL: .097
METAL SURFACE TENSION: 1800

TEMPERATURE: 1720
SOLUTE MAXIMUM SOL: .104
METAL SURFACE TENSION: 1780

TEMPERATURE: 1820
SOLUTE MAXIMUM SOL: .111
METAL SURFACE TENSION: 1760

TEMPERATURE: 1920
SOLUTE MAXIMUM SOL: .118
METAL SURFACE TENSION: 1740

TEMPERATURE: 2020
SOLUTE MAXIMUM SOL: .124
METAL SURFACE TENSION: 1720

OUTPUT
CALC MAX SOLUBILTY: .0801552768
CALC MAX SOLUBILTY: .0953075868
CALC MAX SOLUBILTY: .111188431
CALC MAX SOLUBILTY: .127649652
CALC MAX SOLUBILTY: .144558299

SOLUTE RADIUS N/ECOM: 4.80248627E—09
SOLUTE RADIUS N/ECOM: 4.90134016E-09
SOLUTE RADIUS N/ECOM: 4.99687888E-O9
SOLUTE RADIUS N/ECOM: 5.08942612E-09

193

SOLUTE RADIUS N/ECOM: 5.18925906E-09

OUTPUT FOR CARBON AND METAL NIOBIUM - NONE - S.T. UNSURE

INPUT FROM KIMURA
TEMPERATURE: 2610
SOLUTE MAXIMUM SOL: .135
METAL SURFACE TENSION: 1994

TEMPERATURE: 2880
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 1978

TEMPERATURE: 3110
SOLUTE MAXIMUM SOL: .25
METAL SURFACE TENSION: 1932

TEMPERATURE: 3280
SOLUTE MAXIMUM SOL: .3
METAL SURFACE TENSION: 1898

OUTPUT
CALC MAX SOLUBILTY: .176343251
CALC MAX SOLUBILTY: .21013241
CALC MAX SOLUBILTY: .243887083
CALC MAX SOLUBILTY: .268643209

SOLUTE RADIUS N/ECOM: 5.36568544E-09
SOLUTE RADIUS N/ECOM: 5.07345249E-09
SOLUTE RADIUS N/ECOM: 4.95094094E-O9
SOLUTE RADIUS N/ECOM: 4.78057945E-09

OUTPUT FOR CARBON AND METAL PLUTONIUM - NONE

INPUT FROM HANSEN
TEMPERATURE: 1275
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 500

194

TEMPERATURE: 1420
SOLUTE MAXIMUM SOL: .1
METAL SURFACE TENSION: 485

TEMPERATURE: 1550
SOLUTE MAXIMUM SOL: .15
METAL SURFACE TENSION: 475

TEMPERATURE: 1650
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 465

OUTPUT
CALC MAX SOLUBILTY: .410348181
CALC MAX SOLUBILTY: .460335967
CALC MAX SOLUBILTY: .498537012
CALC MAX SOLUBILTY: .527226618

SOLUTE RADIUS N/ECOM: 9.16020036E-O9
SOLUTE RADIUS N/ECOM: 8.60527059E-09
SOLUTE RADIUS N/ECOM: 8.24612337E-09
SOLUTE RADIUS N/ECOM: 7.92019717E-09

OUTPUT FOR CARBON AND METAL RHENIUM - NONE - S.T. UNSURE

INPUT FROM HUGES
TEMPERATURE: 2770
SOLUTE MAXIMUM SOL: .169
METAL SURFACE TENSION: 2780

TEMPERATURE: 2870
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 2760

TEMPERATURE: 2970
SOLUTE MAXIMUM SOL: .23
METAL SURFACE TENSION: 2740

TEMPERATURE: 3040
SOLUTE MAXIMUM SOL: .25
METAL SURFACE TENSION: 2720

OUTPUT
CALC MAX SOLUBILTY: .102324039
CALC MAX SOLUBILTY: .112550524

195

CALC MAX SOLUBILTY: .123007479
CALC MAX SOLUBILTY: .131031863

SOLUTE RADIUS N/ECOM: 4.41112363E-09
SOLUTE RADIUS N/ECOM: 4.28752736E-09
SOLUTE RADIUS N/ECOM: 4.18308918E-09
SOLUTE RADIUS N/ECOM: 4.12537518E-09

OUTPUT FOR CARBON AND METAL SILVER - NONE

INPUT FROM HANSEN
TEMPERATURE: 1930
SOLUTE MAXIMUM SOL: 1.08E-O4
METAL SURFACE TENSION: 800

TEMPERATURE: 2005
SOLUTE MAXIMUM SOL: 2.25E-04
METAL SURFACE TENSION: 787

OUTPUT
CALC MAX SOLUBILTY: .390035565
CALC MAX SOLUBILTY: .410011059

SOLUTE RADIUS N/ECOM: 1.55572486E-08
SOLUTE RADIUS N/ECOM: 1.53312512E-08

OUTPUT FOR CARBON AND METAL SODIUM - NONE

INPUT FROM SALZANO
TEMPERATURE: 850
SOLUTE MAXIMUM SOL: 1.631E-05
METAL SURFACE TENSION: 157.9

TEMPERATURE: 970

SOLUTE MAXIMUM SOL: 3.695E-05
METAL SURFACE TENSION: 146.9

OUTPUT

CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

INPUT FROM HANSEN
TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT
CALC MAX SOLUBILTY:

196

.655768189
.708936077

2.5530899E-08
2.72072698E-08

420
6 o ZE-OS
197.5

570
9E-05
183.7

770
1.22E-O4
165.3

970
1.44E-04
146.9

.343659548

.480930839
.614088755
.708936077

CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

SOLUTE RADIUS N/ECOM: 1.50435376E-08
SOLUTE RADIUS N/ECOM: 1.78186173E-08

SOLUTE RADIUS N/ECOM: 2.14728955E-08
SOLUTE RADIUS N/ECOM: 2.532937E-08

OUTPUT FOR CARBON AND METAL TANTALUM - NONE

INPUT FROM HANSEN - UNSURE PHASE DIAG

TEMPERATURE: 3070
SOLUTE MAXIMUM SOL: .08
METAL SURFACE TENSION: 2155
TEMPERATURE: 3150
SOLUTE MAXIMUM SOL: .l
METAL SURFACE TENSION: 2140

197

TEMPERATURE: 3305
SOLUTE MAXIMUM SOL: .15
METAL SURFACE TENSION: 2110

TEMPERATURE: 3455
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 2080

OUTPUT
CALC MAX SOLUBILTY: .203024896
CALC MAX SOLUBILTY: .213713905
CALC MAX SOLUBILTY: .234540028
CALC MAX SOLUBILTY: .254756178

SOLUTE RADIUS N/ECOM: 6.28669338E-O9
SOLUTE RADIUS N/ECOM: 6.10154218E-09
SOLUTE RADIUS N/ECOM: 5.71314554E-O9
SOLUTE RADIUS N/ECOM: 5.41892145E-09

INPUT FROM GTE
TEMPERATURE: 3120
SOLUTE MAXIMUM SOL: .12
METAL SURFACE TENSION: 2146

TEMPERATURE: 3255
SOLUTE MAXIMUM SOL: .15
METAL SURFACE TENSION: 2120

TEMPERATURE: 3450
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 2080

OUTPUT
CALC MAX SOLUBILTY: .209648532
CALC MAX SOLUBILTY: .227778266
CALC MAX SOLUBILTY: .2542518

SOLUTE RADIUS N/ECOM: 5.81889799E—09

SOLUTE RADIUS N/ECOM: 5.65637702E-09
SOLUTE RADIUS N/ECOM: 5.41499896E-09

OUTPUT FOR CARBON AND METAL TITANIUM - T1C

INPUT FROM GTE

198

TEMPERATURE: 1920
SOLUTE MAXIMUM SOL: .015
METAL SURFACE TENSION: 1600

TEMPERATURE: 1950
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 1594

TEMPERATURE: 2020
SOLUTE MAXIMUM SOL: .1
METAL SURFACE TENSION: 1580

TEMPERATURE: 2115
SOLUTE MAXIMUM SOL: .15
METAL SURFACE TENSION: 1561

TEMPERATURE: 2320
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 1520

OUTPUT
CALC MAX SOLUBILTY: .150643046
CALC MAX SOLUBILTY: .156182112
CALC MAX SOLUBILTY: .169204387
CALC MAX SOLUBILTY: .18703853
CALC MAX SOLUBILTY: .225786465

SOLUTE RADIUS N/ECOM: 7.44017933E-09
SOLUTE RADIUS N/ECOM: 6.34465527E-09
SOLUTE RADIUS N/ECOM: 5.68641261E-09
SOLUTE RADIUS N/ECOM: 5.31354689E-O9
SOLUTE RADIUS N/ECOM: 5.19448739E-09

INPUT FROM HANSEN
TEMPERATURE: 2110
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 1562

TEMPERATURE: 2210
SOLUTE MAXIMUM SOL: .1
METAL SURFACE TENSION: 1542

TEMPERATURE: 2350
SOLUTE MAXIMUM SOL: .15
METAL SURFACE TENSION: 1514

TEMPERATURE: 2490

SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 1486

OUTPUT

199

CALC MAX SOLUBILTY: .186096532
CALC MAX SOLUBILTY: .204978847
CALC MAX SOLUBILTY: .231455334
CALC MAX SOLUBILTY: .257805808

SOLUTE RADIUS N/ECOM: 6.66707891E-09
SOLUTE RADIUS N/ECOM: 6.02067491E-O9
SOLUTE RADIUS N/ECOM: 5.6872429E-O9
SOLUTE RADIUS N/ECOM: 5.4426545E-09

OUTPUT FOR CARBON AND METAL URANIUM - UC2 - S.T. UNSURE

INPUT FROM HANSEN
TEMPERATURE: 1670
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 1455

TEMPERATURE: 1870
SOLUTE MAXIMUM SOL: .1
METAL SURFACE TENSION: 1425

TEMPERATURE: 2030
SOLUTE MAXIMUM SOL: .15
METAL SURFACE TENSION: 1401

TEMPERATURE: 2170
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 1380

OUTPUT
CALC MAX SOLUBILTY: .138209657
CALC MAX SOLUBILTY: .177127093
CALC MAX SOLUBILTY: .208543214
CALC MAX SOLUBILTY: .235865975

SOLUTE RADIUS N/ECOM: 6.14556225E-O9
SOLUTE RADIUS N/ECOM: 5.7610892E-09
SOLUTE RADIUS N/ECOM: 5.49489926E-09
SOLUTE RADIUS N/ECOM: 5.27242999E-09

200

OUTPUT FOR CARBON AND METAL VANADIUM - NONE - S.T. UNSURE

INPUT FROM STORMS - CHECKED BY ONE SOURCE
TEMPERATURE: 1920
SOLUTE MAXIMUM SOL: .145
METAL SURFACE TENSION: 1980

TEMPERATURE: 2000
SOLUTE MAXIMUM SOL: .167
METAL SURFACE TENSION: 1974

TEMPERATURE: 2120
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 1960

TEMPERATURE: 2250
SOLUTE MAXIMUM SOL: .23
METAL SURFACE TENSION: 1937

OUTPUT
CALC MAX SOLUBILTY: .0960974796
CALC MAX SOLUBILTY: .106258309
CALC MAX SOLUBILTY: .122458462
CALC MAX SOLUBILTY: .141503312

SOLUTE RADIUS N/ECOM: 4.53518452E-O9
SOLUTE RADIUS N/ECOM: 4.46295373E-O9
SOLUTE RADIUS N/ECOM: 4.37280783E-09
SOLUTE RADIUS N/ECOM: 4.33032637E-09

OUTPUT FOR CARBON AND METAL WOLFRAM - WC - S.T. UNSURE

INPUT FROM HANSEN
TEMPERATURE: 3070
SOLUTE MAXIMUM SOL: .4
METAL SURFACE TENSION: 2490

TEMPERATURE: 3350
SOLUTE MAXIMUM SOL: .5
METAL SURFACE TENSION: 2426

OUTPUT
CALC MAX SOLUBILTY: .158455073
CALC MAX SOLUBILTY: .193030301

.—

201

SOLUTE RADIUS N/ECOM: 3.5226504E-O9
SOLUTE RADIUS N/ECOM: 3.24244874E-O9

OUTPUT FOR CARBON AND METAL ZIRCONIUM - ZrC - S.T. GUESSED
FROM T1 DATA

INPUT FROM HANSEN
TEMPERATURE: 2100
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 1553

TEMPERATURE: 2270
SOLUTE MAXIMUM SOL: .067
METAL SURFACE TENSION: 1528

TEMPERATURE: 2670
SOLUTE MAXIMUM SOL: .143
METAL SURFACE TENSION: 1468

TEMPERATURE: 3070
SOLUTE MAXIMUM SOL: .276
METAL SURFACE TENSION: 1408

OUTPUT
CALC MAX SOLUBILTY: .186418296
CALC MAX SOLUBILTY: .216763253
CALC MAX SOLUBILTY: .28683433
CALC MAX SOLUBILTY: .352839707

SOLUTE RADIUS N/ECOM: 6.67050636E-09
SOLUTE RADIUS N/ECOM: 6.6414467E-O9
SOLUTE RADIUS N/ECOM: 6.23341173E-09
SOLUTE RADIUS N/ECOM: 5.5526501E-09

202

OUTPUT FOR HYDROGEN AND METAL CALCIUM - CaH2

INPUT FROM HANSEN
TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

1235
.05
320

1250
.1
319

1270
.15
318

1320
.2
315

.428483589
.433997657
.440874269
.458158868

1.12692074E-08
9.95522072E-O9

SOLUTE RADIUS N/ECOM: 9.12260947E-09

SOLUTE RADIUS N/ECOM:

8.60700759E-09

OUTPUT FOR HYDROGEN AND METAL LANTANUM - NONE

INPUT FROM PETERSON - S.T.
TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

IFFY
1200
.05
1600

1210
.1
1595

1220
.15
1590

203

TEMPERATURE: 1240
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 1585

TEMPERATURE: 1300
SOLUTE MAXIMUM SOL: .3
METAL SURFACE TENSION: 1575

OUTPUT
CALC MAX SOLUBILTY: .0127642323
CALC MAX SOLUBILTY: .0134127394
CALC MAX SOLUBILTY: .0140827491
CALC MAX SOLUBILTY: .015285342
CALC MAX SOLUBILTY: .0190109928

SOLUTE RADIUS N/ECOM: 4.96781615E-09
SOLUTE RADIUS N/ECOM: 4.38029711E-09
SOLUTE RADIUS N/ECOM: 3.99863844E-09
SOLUTE RADIUS N/ECOM: 3.7189189E-09

SOLUTE RADIUS N/ECOM: 3.30387128E-09

OUTPUT FOR HYDROGEN AND METAL LITHIUM - L1H

INPUT FROM HANSEN
TEMPERATURE: 760
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 352

TEMPERATURE: 920
SOLUTE MAXIMUM SOL: .1
METAL SURFACE TENSION: 320

TEMPERATURE: 960
SOLUTE MAXIMUM SOL: .15
METAL SURFACE TENSION: 312

TEMPERATURE: 1090
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 290

OUTPUT
CALC MAX SOLUBILTY: .219827676
CALC MAX SOLUBILTY: .320561721
CALC MAX SOLUBILTY: .345411035
CALC MAX SOLUBILTY: .418858902

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

INPUT FROM HUBBERTY

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT

204

8.42888924E-09
8.52727272E-O9
8.00735537E-O9
8.15144772E—O9

470
4.1E-04
400

550
386

650
370

750
.0279
354

870
.0741
343

CALC MAX SOLUBILTY: .0618102423

CALC MAX SOLUBILTY: .1
CALC MAX SOLUBILTY: .1

00708119
55383689

CALC MAX SOLUBILTY: .213561087
CALC MAX SOLUBILTY: .275398915

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

INPUT FROM ADAMS

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT

1.00330186E-08
9.81595019E-09
9.49203432E-09
9.12643228E-09
8.51486854E-O9

900
.117
334

950
.188
326

205

CALC MAX SOLUBILTY: .297053854
CALC MAX SOLUBILTY: .325493894

SOLUTE RADIUS N/ECOM: 7.96900129E-O9
SOLUTE RADIUS N/ECOM: 7.3141746E-09

OUTPUT FOR HYDROGEN AND METAL PLUTONIUM - PuHZ - DENSITY DATA
BASED ON URANIUM

INPUT FROM HANSEN
TEMPERATURE: 970
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 545

TEMPERATURE: 1070
SOLUTE MAXIMUM SOL: .075
METAL SURFACE TENSION: 520

OUTPUT
CALC MAX SOLUBILTY: .159177539
CALC MAX SOLUBILTY: .204014774

SOLUTE RADIUS N/ECOM: 7.65283763E-09
SOLUTE RADIUS N/ECOM: 7.65148764E-09

OUTPUT FOR HYDROGEN AND METAL POTASSIUM - NONE

INPUT FROM HUBBERTY
TEMPERATURE: 400
SOLUTE MAXIMUM SOL: 6.61E-06
METAL SURFACE TENSION: 89.19

TEMPERATURE: 500
SOLUTE MAXIMUM SOL: 2.08E-O4
METAL SURFACE TENSION: 82.66

TEMPERATURE: 600
SOLUTE MAXIMUM SOL: 2.07E-03
METAL SURFACE TENSION: 76.13

206

TEMPERATURE: 700
SOLUTE MAXIMUM SOL: .0107
METAL SURFACE TENSION: 69.6

OUTPUT
CALC MAX SOLUBILTY: .482239884
CALC MAX SOLUBILTY: .582320773
CALC MAX SOLUBILTY: .660331052
CALC MAX SOLUBILTY: .72237269

SOLUTE RADIUS N/ECOM: 2.42392722E—O8
SOLUTE RADIUS N/ECOM: 2.37337677E-08
SOLUTE RADIUS N/ECOM: 2.31303707E-08
SOLUTE RADIUS N/ECOM: 2.2389101E-08

INPUT FROM ARNIL’DOV - RUSSIAN
TEMPERATURE: 570
SOLUTE MAXIMUM SOL: 1.79E-O3
METAL SURFACE TENSION: 78.09

TEMPERATURE: 670
SOLUTE MAXIMUM SOL: .0105
METAL SURFACE TENSION: 71.56

TEMPERATURE: 770
SOLUTE MAXIMUM SOL: .0386
METAL SURFACE TENSION: 65.03

OUTPUT
CALC MAX SOLUBILTY: .638838315
CALC MAX SOLUBILTY: .7051503
CALC MAX SOLUBILTY: .75863344

SOLUTE RADIUS N/ECOM: 2.25201818E-08
SOLUTE RADIUS N/ECOM: 2.16468939E-08
SOLUTE RADIUS N/ECOM: 2.05737855E-08

OUTPUT FOR HYDROGEN AND METAL SODIUM - NaH

INPUT FROM McCLURE
TEMPERATURE: 530
SOLUTE MAXIMUM SOL: 1.899E-O4
METAL SURFACE TENSION: 187.4

207

TEMPERATURE: 630
SOLUTE MAXIMUM SOL: 1.309E-03
METAL SURFACE TENSION: 178.2

OUTPUT
CALC MAX SOLUBILTY: .314580092
CALC MAX SOLUBILTY: .396460847

SOLUTE RADIUS N/ECOM: 1.63155577E-08
SOLUTE RADIUS N/ECOM: 1.6055895E-08

INPUT FROM ADDISON
TEMPERATURE: 520
SOLUTE MAXIMUM SOL: 8.256E-05
METAL SURFACE TENSION: 188.3

TEMPERATURE: 593
SOLUTE MAXIMUM SOL: 1.275E-04
METAL SURFACE TENSION: 181.6

OUTPUT
CALC MAX SOLUBILTY: .305924076
CALC MAX SOLUBILTY: .367270147

SOLUTE RADIUS N/ECOM: 1.68876678E-08
SOLUTE RADIUS N/ECOM: 1.79343623E-08

INPUT FROM HUBBERTY
TEMPERATURE: 400
SOLUTE MAXIMUM SOL: 1.86E-O6
METAL SURFACE TENSION: 199.3

TEMPERATURE: 500
SOLUTE MAXIMUM SOL: 6.03E-05
METAL SURFACE TENSION: 190.1

TEMPERATURE: 600
SOLUTE MAXIMUM SOL: 6.11E-04
METAL SURFACE TENSION: 180.9

TEMPERATURE: 700
SOLUTE MAXIMUM SOL: 3.2E-03
METAL SURFACE TENSION: 171.7

OUTPUT
CALC MAX SOLUBILTY: .195989991
CALC MAX SOLUBILTY: .288352943
CALC MAX SOLUBILTY: .373007918

208
CALC MAX SOLUBILTY: .448301991

SOLUTE RADIUS N/ECOM: 1.70554563E-08
SOLUTE RADIUS N/ECOM: 1.6754253E-08

SOLUTE RADIUS N/ECOM: 1.64197947E-O8
SOLUTE RADIUS N/EOOM: 1.60390013E-08

OUTPUT FOR HYDROGEN AND METAL STRONTIUM - SrH2

INPUT FROM HANSEN - SCEWY PHASE DIAG
TEMPERATURE: 1050
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 282

TEMPERATURE: 1065
SOLUTE MAXIMUM SOL: .1
METAL SURFACE TENSION: 283

TEMPERATURE: 1080
SOLUTE MAXIMUM SOL: .15
METAL SURFACE TENSION: 285

OUTPUT
CALC MAX SOLUBILTY: .415425564
CALC MAX SOLUBILTY: .419307612
CALC MAX SOLUBILTY: .421837111

SOLUTE RADIUS N/EOOM: 1.10689131E-O8
SOLUTE RADIUS N/ECOM: 9.75602297E-09
SOLUTE RADIUS N/ECOM: 8.88628486E-O9

OUTPUT FOR HYDROGEN AND METAL URANIUM - UH3 - UNSURE S.T. DATA

INPUT FROM HANSEN
TEMPERATURE: 1400
SOLUTE MAXIMUM SOL: .29
METAL SURFACE TENSION: 1495

TEMPERATURE: 1470

209

SOLUTE MAXIMUM SOL: .333
METAL SURFACE TENSION: 1485

OUTPUT
CALC MAX SOLUBILTY: .0304161809
CALC MAX SOLUBILTY: .0367283218

SOLUTE RADIUS N/ECOM: 3.56833063E-09
SOLUTE RADIUS N/ECOM: 3.45779081E-09

210

OUTPUT FOR NITROGEN AND METAL CALCIUM - C83N2

INPUT PROM HANSEN
TEMPERATURE: 1050
SOLUTE MAXIMUM SOL: .019
METAL SURFACE TENSION: 329

TEMPERATURE: 1110
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 326

TEMPERATURE: 1150
SOLUTE MAXIMUM SOL: .1
METAL SURFACE TENSION: 324

OUTPUT
CALC MAX SOLUBILTY: .358846533
CALC MAX SOLUBILTY: .382654602
CALC MAX SOLUBILTY: .39791329

SOLUTE RADIUS N/ECOM: 1.17871674E-08
SOLUTE RADIUS N/ECOM: 1.05849198E-08
SOLUTE RADIUS N/ECOM: 9.47474746E-09

OUTPUT FOR NITROGEN AND METAL CHROMIUM - DELTA H DATA FOR CrN2
- DENSITY DATA FOR CrN - UNSURE S.T.

INPUT FROM HUMBERT
TEMPERATURE: 1960
SOLUTE MAXIMUM SOL: .172
METAL SURFACE TENSION: 1664

TEMPERATURE: 2000
SOLUTE MAXIMUM SOL: .156
METAL SURFACE TENSION: 1656

TEMPERATURE: 2040
SOLUTE MAXIMUM SOL: .142
METAL SURFACE TENSION: 1648

TEMPERATURE: 2080
SOLUTE MAXIMUM SOL: .129
METAL SURFACE TENSION: 1640

TEMPERATURE: 2130

211

SOLUTE MAXIMUM SOL: .113
METAL SURFACE TENSION: 1630

OUTPUT
CALC MAX SOLUBILTY: .062233054
CALC MAX SOLUBILTY: .0666534614
CALC MAX SOLUBILTY: .0711960028
CALC MAX SOLUBILTY: .0758555304
CALC MAX SOLUBILTY: .0818366158

SOLUTE RADIUS N/ECOM: 4.77225089E-O9
SOLUTE RADIUS N/ECOM: 4.96454324E-09
SOLUTE RADIUS N/ECOM: 5.15171448E—09
SOLUTE RADIUS N/ECOM: 5.34136242E-O9
SOLUTE RADIUS N/ECOM: 5.59428039E-O9

INPUT FROM HANSEN - IST SAMPLE EXPOSED TO AIR - 2ND TO HYDROGEN
TEMPERATURE: 1900
SOLUTE MAXIMUM SOL: .0738
METAL SURFACE TENSION: 1676

TEMPERATURE: 1920
SOLUTE MAXIMUM SOL: .1234
METAL SURFACE TENSION: 1672

OUTPUT
CALC MAX SOLUBILTY: .0558426432
CALC MAX SOLUBILTY: .0579399062

SOLUTE RADIUS N/ECOM: 5.69696332E-O9
SOLUTE RADIUS N/ECOM: 5.13724582E~O9

OUTPUT FOR NITROGEN AND METAL LITHIUM - L13N - DENISITY DATA
GUESS

INPUT FROM ADAMS
TEMPERATURE: 500
SOLUTE MAXIMUM SOL: 1.25E-O3
METAL SURFACE TENSION: 390

TEMPERATURE: 600
SOLUTE MAXIMUM SOL: 5.95E-O3
METAL SURFACE TENSION: 374

212

TEMPERATURE: 700
SOLUTE MAXIMUM SOL: .0182
METAL SURFACE TENSION: 368

OUTPUT
CALC MAX SOLUBILTY: .0779842498
CALC MAX SOLUBILTY: .130182474
CALC MAX SOLUBILTY: .179151631

SOLUTE RADIUS N/ECOM: 9.70228831E-O9
SOLUTE RADIUS N/ECOM: 9.50261636E-09
SOLUTE RADIUS N/ECOM: 9.1491775E-09

INPUT FROM ADAMS
TEMPERATURE: 570
SOLUTE MAXIMUM SOL: 7.5E-04
METAL SURFACE TENSION: 386

TEMPERATURE: 670
SOLUTE MAXIMUM SOL: 6.7E-03
METAL SURFACE TENSION: 370

TEMPERATURE: 770
SOLUTE MAXIMUM SOL: .0375
METAL SURFACE TENSION: 354

TEMPERATURE: 870
SOLUTE MAXIMUM SOL: .065
METAL SURFACE TENSION: 338

OUTPUT
CALC MAX SOLUBILTY: .109155262
CALC MAX SOLUBILTY: .164264071
CALC MAX SOLUBILTY: .222298808
CALC MAX SOLUBILTY: .280624795

SOLUTE RADIUS N/ECOM: 1.08032831E-08
SOLUTE RADIUS N/ECOM: 9.97815086E-O9
SOLUTE RADIUS N/ECOM: 8.85706763E-O9
SOLUTE RADIUS N/ECOM: 8.79090756E-O9

INPUT FROM HANSEN
TEMPERATURE: 520
SOLUTE MAXIMUM SOL: 2E-O4
METAL SURFACE TENSION: 394

TEMPERATURE: 620
SOLUTE MAXIMUM SOL: 5.9E-03
METAL SURFACE TENSION: 378

213

TEMPERATURE: 720
SOLUTE MAXIMUM SOL: 6.5E-03
METAL SURFACE TENSION: 362

OUTPUT
CALC MAX SOLUBILTY: .0838870775
CALC MAX SOLUBILTY: .136129046
CALC MAX SOLUBILTY: .193108846

SOLUTE RADIUS N/ECOM: 1.11118199E-08
SOLUTE RADIUS N/ECOM: 9.61635802E-09
SOLUTE RADIUS N/ECOM: 1.04890507E-08

OUTPUT FOR NITROGEN AND METAL MOLYBDENUM - M02N - DENSITY
GUESS - S.T. UNSURE

INPUT FROM HERMAN
TEMPERATURE: 2090
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 985

TEMPERATURE: 2180
SOLUTE MAXIMUM SOL: .25
METAL SURFACE TENSION: 1008

TEMPERATURE: 3250
SOLUTE MAXIMUM SOL: .3
METAL SURFACE TENSION: 1220

OUTPUT
CALC MAX SOLUBILTY: .214056308
CALC MAX SOLUBILTY: .220383874
CALC MAX SOLUBILTY: .292930546

SOLUTE RADIUS N/ECOM: 6.12456891E-O9
SOLUTE RADIUS N/ECOM: 5.73864148E-09
SOLUTE RADIUS N/ECOM: 5.93544777E-09

214
OUTPUT FOR NITROGEN AND METAL SILICON - SI3N4 - DENSITY GUESS

INPUT FROM SCARCE
TEMPERATURE: 2000
SOLUTE MAXIMUM SOL: 7.5E-O4
METAL SURFACE TENSION: 700

TEMPERATURE: 2200
SOLUTE MAXIMUM SOL: 2.7E-O3
METAL SURFACE TENSION: 680

TEMPERATURE: 2500
SOLUTE MAXIMUM SOL: .0133
METAL SURFACE TENSION: 650

TEMPERATURE: 2700
SOLUTE MAXIMUM SOL: .0313
METAL SURFACE TENSION: 630

TEMPERATURE: 2900
SOLUTE MAXIMUM SOL: .0653
METAL SURFACE TENSION: 610

OUTPUT
CALC MAX SOLUBILTY: .31829045
CALC MAX SOLUBILTY: .363860687
CALC MAX SOLUBILTY: .427237108
CALC MAX SOLUBILTY: .4661751
CALC MAX SOLUBILTY: .502578998

SOLUTE RADIUS N/ECOM: 1.50271963E-08
SOLUTE RADIUS N/ECOM: 1.44977102E-08
SOLUTE RADIUS N/ECOM: 1.35094648E-08
SOLUTE RADIUS N/ECOM: 1.27700481E-O8
SOLUTE RADIUS N/ECOM: 1.19371429E-O8

OUTPUT FOR NITROGEN AND METAL TITANIUM - TiN

INPUT FROM HANSEN
TEMPERATURE: 2330
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 1518

TEMPERATURE: 2484
SOLUTE MAXIMUM SOL: .1
METAL SURFACE TENSION: 1486

215

TEMPERATURE: 2565
SOLUTE MAXIMUM SOL: .15
METAL SURFACE TENSION: 1472

TEMPERATURE: 2830
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 1419

OUTPUT
CALC MAX SOLUBILTY: .118724025
CALC MAX SOLUBILTY: .141323311
CALC MAX SOLUBILTY: .153039098
CALC MAX SOLUBILTY: .193972531

SOLUTE RADIUS N/ECOM: 7.10684687E-09
SOLUTE RADIUS N/ECOM: 6.5021595E-O9
SOLUTE RADIUS N/ECOM: 6.02588117E-O9
SOLUTE RADIUS N/ECOM: 5.93775833E-O9

216

OUTPUT FOR OXYGEN AND METAL ANTIMONY - Sb203

INPUT FROM JACOB
TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

1000
l a 79E’04
370

1100
365

1175
358

.298135388
.33779324
.369147252

1.60044491E-08
1.57286733E-08
1.55906038E-08

OUTPUT FOR OXYGEN AND METAL BARIUM - B802

INPUT FROM HANSEN
TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:

SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT

1000
.167
255

1170
.211
250

1370
.277
245

1520
.318
237

217

CALC MAX SOLUBILTY: .434281657
CALC MAX SOLUBILTY: .497134049
CALC MAX SOLUBILTY: .557145038
CALC MAX SOLUBILTY: .60050071

SOLUTE RADIUS N/ECOM: 8.78033063E-O9
SOLUTE RADIUS N/ECOM: 8.94327844E-O9
SOLUTE RADIUS N/ECOM: 8.87971006E-09
SOLUTE RADIUS N/ECOM: 8.98394739E-O9

OUTPUT FOR OXYGEN AND METAL BIMUTH - B10

INPUT FROM GRIFFITH
TEMPERATURE: 670
SOLUTE MAXIMUM SOL: 3.32E~05
METAL SURFACE TENSION: 360

TEMPERATURE: 770
SOLUTE MAXIMUM SOL: 1.51E-O4
METAL SURFACE TENSION: 357

TEMPERATURE: 870
SOLUTE MAXIMUM SOL: 4.73E-04
METAL SURFACE TENSION: 353

TEMPERATURE: 970
SOLUTE MAXIMUM SOL: 1.23E-O3
METAL SURFACE TENSION: 348

TEMPERATURE: 1020
SOLUTE MAXIMUM SOL: 1.83E-O3
METAL SURFACE TENSION: 346

OUTPUT
CALC MAX SOLUBILTY: .17248214
CALC MAX SOLUBILTY: .219483917
CALC MAX SOLUBILTY: .265237297
CALC MAX SOLUBILTY: .309297132
CALC MAX SOLUBILTY: .329718085

SOLUTE RADIUS N/ECOM: 1.45198194E-O8
SOLUTE RADIUS N/ECOM: 1.44375104E-08
SOLUTE RADIUS N/ECOM: 1.43968803E-08
SOLUTE RADIUS N/ECOM: 1.43232327E-08
SOLUTE RADIUS N/EOOM: 1.42867751E-08

218

OUTPUT FOR OXYGEN AND METAL CALCIUM - DELTA H FOR CaO -
DENSITY FOR C802

INPUT FROM HANSEN
TEMPERATURE: 1110
SOLUTE MAXIMUM SOL: 1.5E-03
METAL SURFACE TENSION: 326

TEMPERATURE: 1620
SOLUTE MAXIMUM SOL: .1
METAL SURFACE TENSION: 300

OUTPUT
CALC MAX SOLUBILTY: .382654602
CALC MAX SOLUBILTY: .545687126

SOLUTE RADIUS N/ECOM: 1.55944207E-08
SOLUTE RADIUS N/ECOM: 1.16865981E-08

OUTPUT FOR OXYGEN AND METAL CESIUM - C820

INPUT FROM ADAMS
TEMPERATURE: 320
SOLUTE MAXIMUM SOL: .197
METAL SURFACE TENSION: 67.75

TEMPERATURE: 420
SOLUTE MAXIMUM SOL: .227
METAL SURFACE TENSION: 63.05

TEMPERATURE: 520
SOLUTE MAXIMUM SOL: .256
METAL SURFACE TENSION: 58.35

TEMPERATURE: 620
SOLUTE MAXIMUM SOL: .268
METAL SURFACE TENSION: 53.65

TEMPERATURE: 720

219

SOLUTE MAXIMUM SOL: .304
METAL SURFACE TENSION: 48.95

OUTPUT
CALC MAX SOLUBILTY: .500325541
CALC MAX SOLUBILTY: .612005459
CALC MAX SOLUBILTY: .692792318
CALC MAX SOLUBILTY: .753495362
CALC MAX SOLUBILTY: .800618201

SOLUTE RADIUS N/ECOM: 9.18058744E-09
SOLUTE RADIUS N/ECOM: 1.04161576E-08
SOLUTE RADIUS N/ECOM: 1.1549024E-08
SOLUTE RADIUS N/ECOM: 1.2928527E-O8
SOLUTE RADIUS N/ECOM: 1.38700967E-08

OUTPUT FOR OXYGEN AND METAL CHROMIUM - Cr203

INPUT FROM HANSEN - CHECKS ONE SOURCE
TEMPERATURE: 2100
SOLUTE MAXIMUM SOL: .02
METAL SURFACE TENSION: 1610

TEMPERATURE: 2173
SOLUTE MAXIMUM SOL: .03
METAL SURFACE TENSION: 1600

TEMPERATURE: 2373
SOLUTE MAXIMUM SOL: .04
METAL SURFACE TENSION: 1590

TEMPERATURE: 2473
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 1580

OUTPUT
CALC MAX SOLUBILTY: .0814604775
CALC MAX SOLUBILTY: .0899642126
CALC MAX SOLUBILTY: .111739947
CALC MAX SOLUBILTY: .123719979

SOLUTE RADIUS N/ECOM: 7.48653386E-O9
SOLUTE RADIUS N/ECOM: 7.2325886E—O9
SOLUTE RADIUS N/ECOM: 7.2641667E-O9
SOLUTE RADIUS N/ECOM: 7.17659433E-O9

220

OUTPUT FOR OXYGEN AND METAL COBALT - COO

INPUT FROM HANSEN
TEMPERATURE: 1720
SOLUTE MAXIMUM SOL: 8.47E-O3
METAL SURFACE TENSION: 1855

TEMPERATURE: 1760
SOLUTE MAXIMUM SOL: .02
METAL SURFACE TENSION: 1845

TEMPERATURE: 1820
SOLUTE MAXIMUM SOL: .04
METAL SURFACE TENSION: 1830

OUTPUT
CALC MAX SOLUBILTY: .0293766981
CALC MAX SOLUBILTY: .0324259074
CALC MAX SOLUBILTY: .0372984734

SOLUTE RADIUS N/ECOM: 6.97092786E-O9
SOLUTE RADIUS N/ECOM: 6.40239158E-O9
SOLUTE RADIUS N/ECOM: 5.92987644E-O9

INPUT FROM HANSEN - FROM RUSSIAN
TEMPERATURE: 1820
SOLUTE MAXIMUM SOL: 7E-03
METAL SURFACE TENSION: 1830

TEMPERATURE: 1920
SOLUTE MAXIMUM SOL: .01
METAL SURFACE TENSION: 1810

OUTPUT
CALC MAX SOLUBILTY: .0372984734
CALC MAX SOLUBILTY: .0458014329

SOLUTE RADIUS N/ECOM: 7.36232755E-09
SOLUTE RADIUS N/ECOM: 7.32516738E-09

221

OUTPUT FOR OXYGEN AND METAL COPPER - Cu20

INPUT FROM PARLEE
TEMPERATURE: 1223
SOLUTE MAXIMUM SOL: 6.99E-03
METAL SURFACE TENSION: 1310

OUTPUT
CALC MAX SOLUBILTY: .0300916688

SOLUTE RADIUS N/ECOM: 7.13419739E-O9

OUTPUT FOR OXYGEN AND METAL COPPER - Cu20 - DIFF DELTA H USED
HERE

INPUT FROM HANSEN
TEMPERATURE: 1373
SOLUTE MAXIMUM SOL: .023
METAL SURFACE TENSION: 1290

TEMPERATURE: 1473

SOLUTE MAXIMUM SOL: .067
METAL SURFACE TENSION: 1280

OUTPUT
CALC MAX SOLUBILTY: .0462772682
CALC MAX SOLUBILTY: .0582931772

SOLUTE RADIUS N/ECOM: 6.64086525E-O9
SOLUTE RADIUS N/ECOM: 5.84531378E-09

OUTPUT FOR OXYGEN AND METAL GALLIUM - G3203

INPUT FROM ALCOCK

TEMPERATURE:
SOLUTE MAXIMUM SOL:

1050
lo 72E-05

METAL SURFACE TENSION: 642.5

TEMPERATURE:
SOLUTE MAXIMUM SOL:

1150
7 0 023-05

METAL SURFACE TENSION: 632.4

TEMPERATURE:
SOLUTE MAXIMUM SOL:

1250
2.29E-O4

METAL SURFACE TENSION: 622.3

TEMPERATURE:
SOLUTE MAXIMUM SOL:

1350

METAL SURFACE TENSION: 612.2

OUTPUT
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

INPUT FROM STEVENSON
TEMPERATURE:
SOLUTE MAXIMUM SOL:

.135140914
.165518421
.196252998
.226896477

1023

METAL SURFACE TENSION: 645

TEMPERATURE:
SOLUTE MAXIMUM SOL:

1123
1.8E-04

METAL SURFACE TENSION: 635

TEMPERATURE:
SOLUTE MAXIMUM SOL:

1223

METAL SURFACE TENSION: 625

TEMPERATURE:
SOLUTE MAXIMUM SOL:

1323
6.02E-O4

METAL SURFACE TENSION: 615

OUTPUT
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

SOLUTE RADIUS N/ECOM: 1.2950759E-08

.127166971
.157317295
.187961057
.218612516

1.40331989E-08
1.38216484E-08
1.35989958E-O8
1.33650867E-08

223

SOLUTE RADIUS N/ECOM: 1.29420881E—08
SOLUTE RADIUS N/ECOM: 1.2935435E-08
SOLUTE RADIUS N/ECOM: 1.32369747E-O8

OUTPUT FOR OXYGEN AND METAL GERMANIUM GeOZ

INPUT FROM JACOB
TEMPERATURE: 1230
SOLUTE MAXIMUM SOL: 9.55E-04
METAL SURFACE TENSION: 670

TEMPERATURE: 1330
SOLUTE MAXIMUM SOL: 2.37E-03
METAL SURFACE TENSION: 600

TEMPERATURE: 1400
SOLUTE MAXIMUM SOL: 4.16E-03
METAL SURFACE TENSION: 550

OUTPUT
CALC MAX SOLUBILTY: .168356365
CALC MAX SOLUBILTY: .228649965
CALC MAX SOLUBILTY: .276659041

SOLUTE RADIUS N/ECOM: 1.18415789E-08
SOLUTE RADIUS N/ECOM: 1.21318461E-08
SOLUTE RADIUS N/ECOM: 1.23806968E-08

OUTPUT FOR OXYGEN AND METAL HAFNIUM - HfOZ - S.T. UNSURE

INPUT FROM KARNILOV - RUSSIAN
TEMPERATURE: 2570
SOLUTE MAXIMUM SOL: .3
METAL SURFACE TENSION: 1590

TEMPERATURE: 2670
SOLUTE MAXIMUM SOL: .35
METAL SURFACE TENSION: 1580

224

TEMPERATURE: 2770
SOLUTE MAXIMUM SOL: .4
METAL SURFACE TENSION: 1570

TEMPERATURE: 2860
SOLUTE MAXIMUM SOL: .45
METAL SURFACE TENSION: 1560

TEMPERATURE: 2950
SOLUTE MAXIMUM SOL: .5
METAL SURFACE TENSION: 1550

OUTPUT
CALC MAX SOLUBILTY: .132180321
CALC MAX SOLUBILTY: .144345132
CALC MAX SOLUBILTY: .156630671
CALC MAX SOLUBILTY: .167949861
CALC MAX SOLUBILTY: .179321971

SOLUTE RADIUS N/ECOM: 4.62338141E-O9
SOLUTE RADIUS N/ECOM: 4.41436593E-09
SOLUTE RADIUS N/ECOM: 4.2139569E-09
SOLUTE RADIUS N/ECOM: 4.00999337E-09
SOLUTE RADIUS N/ECOM: 3.80663532E-09

OUTPUT FOR OXYGEN AND METAL INDIUM - In203

INPUT FROM JACOB
TEMPERATURE: 920
SOLUTE MAXIMUM SOL: 3.92E-04
METAL SURFACE TENSION: 570

TEMPERATURE: 1000
SOLUTE MAXIMUM SOL: 1.01E-03
METAL SURFACE TENSION: 500

TEMPERATURE: 1100
SOLUTE MAXIMUM SOL: 2.71E-O3
METAL SURFACE TENSION: 486

OUTPUT
CALC MAX SOLUBILTY: .131796885
CALC MAX SOLUBILTY: .194871358
CALC MAX SOLUBILTY: .235719503

225

SOLUTE RADIUS N/ECOM: 1.17927624E-O8
SOLUTE RADIUS N/ECOM: 1.23098805E~08
SOLUTE RADIUS N/ECOM: 1.21222983E-O8

OUTPUT FOR OXYGEN AND METAL IRON Fe(.947)0...UUSTITE

INPUT FROM WRIDT - CHECKS ONE SOURCE
TEMPERATURE: 1820
SOLUTE MAXIMUM SOL: 6.28E-03
METAL SURFACE TENSION: 1795

TEMPERATURE: 1920
SOLUTE MAXIMUM SOL: 9.77E-03
METAL SURFACE TENSION: 1785

TEMPERATURE: 1970
SOLUTE MAXIMUM SOL: .0119
METAL SURFACE TENSION: 1780

OUTPUT
CALC MAX SOLUBILTY: .0397199269
CALC MAX SOLUBILTY: .0477942015
CALC MAX SOLUBILTY: .0520593745

SOLUTE RADIUS N/ECOM: 7.51462534E-O9
SOLUTE RADIUS N/ECOM: 7.39489738E-09
SOLUTE RADIUS N/ECOM: 7.33952575E-09

OUTPUT FOR OXYGEN AND METAL LEAD - PbO

INPUT FROM RAPP
TEMPERATURE: 1050
SOLUTE MAXIMUM SOL: 3.44E-O4
METAL SURFACE TENSION: 420

TEMPERATURE: 1150
SOLUTE MAXIMUM SOL: 1E-O3
METAL SURFACE TENSION: 415

226

OUTPUT
CALC MAX SOLUBILTY: .270270353
CALC MAX SOLUBILTY: .307173218

SOLUTE RADIUS N/ECOM: 1.47984137E-08
SOLUTE RADIUS N/ECOM: 1.45002913E-08

INPUT FROM HANSEN
TEMPERATURE: 670
SOLUTE MAXIMUM SOL: 1.3E-O4
METAL SURFACE TENSION: 445

TEMPERATURE: 770
SOLUTE MAXIMUM SOL: 2.6E-04
METAL SURFACE TENSION: 440

TEMPERATURE: 870
SOLUTE MAXIMUM SOL: 5.8E-O4
METAL SURFACE TENSION: 435

TEMPERATURE: 970
SOLUTE MAXIMUM SOL: 1.17E-O3
METAL SURFACE TENSION: 430

TEMPERATURE: 1070
SOLUTE MAXIMUM SOL: 2.33E-03
METAL SURFACE TENSION: 425

OUTPUT
CALC MAX SOLUBILTY: .113901893
CALC MAX SOLUBILTY: .154270697
CALC MAX SOLUBILTY: .194871358
CALC MAX SOLUBILTY: .234580578
CALC MAX SOLUBILTY: .272760282

SOLUTE RADIUS N/ECOM: 1.216475E-08

SOLUTE RADIUS N/ECOM: 1.25966901E-O8
SOLUTE RADIUS N/ECOM: 1.27952526E-08
SOLUTE RADIUS N/ECOM: 1.29333516E‘08
SOLUTE RADIUS N/ECOM: 1.29474644E-O8

INPUT FROM HANSEN
TEMPERATURE: 870
SOLUTE MAXIMUM SOL: 2E-04
METAL SURFACE TENSION: 435

TEMPERATURE: 970
SOLUTE MAXIMUM SOL: 6E-04
METAL SURFACE TENSION: 430

227

TEMPERATURE: 1030
SOLUTE MAXIMUM SOL: 1E-03
METAL SURFACE TENSION: 427

OUTPUT
CALC MAX SOLUBILTY: .194871358
CALC MAX SOLUBILTY: .234580578
CALC MAX SOLUBILTY: .257698244

SOLUTE RADIUS N/ECOM: 1.36787569E-08
SOLUTE RADIUS N/ECOM: 1.35579941E-08
SOLUTE RADIUS N/ECOM: 1.35287145E-08

INPUT FROM ALCOCK
TEMPERATURE: 780
SOLUTE MAXIMUM SOL: 7.4E-05
METAL SURFACE TENSION: 439

TEMPERATURE: 870
SOLUTE MAXIMUM SOL: 3.18E-O4
METAL SURFACE TENSION: 435

TEMPERATURE: 970
SOLUTE MAXIMUM SOL: 1.36E-O3
METAL SURFACE TENSION: 430

OUTPUT
CALC MAX SOLUBILTY: .158675993
CALC MAX SOLUBILTY: .194871358
CALC MAX SOLUBILTY: .234580578

SOLUTE RADIUS N/ECOM: 1.36245349E-08
SOLUTE RADIUS N/ECOM: 1.33011629E-08
SOLUTE RADIUS N/ECOM: 1.27883906E-08

INPUT FROM CHARLE - GERMAN
TEMPERATURE: 1000
SOLUTE MAXIMUM SOL: 1.73E-O3
METAL SURFACE TENSION: 428

TEMPERATURE: 1100
SOLUTE MAXIMUM SOL: 5.01E-03
METAL SURFACE TENSION: 423

TEMPERATURE: 1143

SOLUTE MAXIMUM SOL: 7.47E-O3
METAL SURFACE TENSION: 421

OUTPUT

228

CALC MAX SOLUBILTY: .246617731
CALC MAX SOLUBILTY: .284283499
CALC MAX SOLUBILTY: .299769366

SOLUTE RADIUS N/ECOM: 1.27754897E-08
SOLUTE RADIUS N/ECOM: 1.22997597E-08
SOLUTE RADIUS N/ECOM: 1.20843782E-O8

OUTPUT FOR OXYGEN AND METAL LEAD - PbO - NEW DELTA H

INPUT FROM RAPP
TEMPERATURE: 1250
SOLUTE MAXIMUM SOL: 2.45E-03
METAL SURFACE TENSION: 410

TEMPERATURE: 1350
SOLUTE MAXIMUM SOL: 5.47E-O3
METAL SURFACE TENSION: 405

OUTPUT
CALC MAX SOLUBILTY: .342038266
CALC MAX SOLUBILTY: .374842484

SOLUTE RADIUS N/ECOM: 1.41887432E-08
SOLUTE RADIUS N/ECOM: 1.38095052E-08

INPUT FROM HANSEN
TEMPERATURE: 1170
SOLUTE MAXIMUM SOL: 4.94E-O3
METAL SURFACE TENSION: 420

OUTPUT
CALC MAX SOLUBILTY: .309083268

SOLUTE RADIUS N/ECOM: 1.27472022E-O8

INPUT FROM CHARLE - GERMAN
TEMPERATURE: 1240
SOLUTE MAXIMUM SOL: .0187
METAL SURFACE TENSION: 416

TEMPERATURE: 1340
SOLUTE MAXIMUM SOL: .0346

METAL SURFACE TENSION:

OUTPUT
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

OUTPUT FOR OXYGEN AND METAL LITHIUM - L120

INPUT FROM ADAMS - 7
TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:

SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT

229

411

.333767332
.366697635

1.14142447E-08
1.09758083E-08

570
9 o 9E-05
386

670
4.88E-O4
370

770
1.66E-O3
354

870
4.25E-O3
338

CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM
SOLUTE RADIUS N/ECOM:

.109155262
.164264071
.222298808
.280624795

1.22293063E-O8
1.23153116E-08
: 1.23665602E-08
1.24255104E-08

INPUT FROM ASTM SPEC TECH PUBL

TEMPERATURE:
SOLUTE MAXIMUM SOL:

520
9.6E-06

METAL SURFACE TENSION: 394

230

TEMPERATURE: 570
SOLUTE MAXIMUM SOL: 2.05E-05
METAL SURFACE TENSION: 386

TEMPERATURE: 670
SOLUTE MAXIMUM SOL: 6.5E-05
METAL SURFACE TENSION: 370

OUTPUT
CALC MAX SOLUBILTY: .0838870775
CALC MAX SOLUBILTY: .109155262
CALC MAX SOLUBILTY: .164264071

SOLUTE RADIUS N/ECOM: 1.29419101E-08
SOLUTE RADIUS N/ECOM: 1.32324483E-08
SOLUTE RADIUS N/ECOM: 1.38478944E-08

OUTPUT FOR OXYGEN AND METAL MANGANEESE - MnO

INPUT FROM HANSEN
TEMPERATURE: 1670
SOLUTE MAXIMUM SOL: 6.42E-O4
METAL SURFACE TENSION: 1080

TEMPERATURE: 1770
SOLUTE MAXIMUM SOL: 9.34E-04
METAL SURFACE TENSION: 1060

TEMPERATURE: 1870
SOLUTE MAXIMUM SOL: 1.31E-O3
METAL SURFACE TENSION: 1040

OUTPUT
CALC MAX SOLUBILTY: .120600948
CALC MAX SOLUBILTY: .141027142
CALC MAX SOLUBILTY: .16217619

SOLUTE RADIUS N/ECOM: 1.11737939E-08
SOLUTE RADIUS N/ECOM: 1.13115308E-08
SOLUTE RADIUS N/ECOM: 1.14497828E-08

INPUT FROM JACOB
TEMPERATURE: 1500
SOLUTE MAXIMUM SOL: 1.79E-04

METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

OUTPUT

CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

1114

1600
4.28E-O4
1094

1700
9.22E-04
1074

1800
1054

1900
3.36E-03
1034

.0881128092
.106839146
.126641406
.147304497
.168634638

231

1.12965187E-08
1.11625768E-08
1.10233132E-08
1.08739697E-08
1.07220499E-08

SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:
SOLUTE RADIUS N/ECOM:

OUTPUT FOR OXYGEN AND METAL NEODYNIUM - Nd203 - UNSURE S.T. &
PHASE

INPUT FROM HANSEN

TEMPERATURE: 1300
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 688
TEMPERATURE: 1400
SOLUTE MAXIMUM SOL: .1
METAL SURFACE TENSION: 678
TEMPERATURE: 1470
SOLUTE MAXIMUM SOL: .15
METAL SURFACE TENSION: 668

232

TEMPERATURE: 1540
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 658

OUTPUT
CALC MAX SOLUBILTY: .177102865
CALC MAX SOLUBILTY: .205149384
CALC MAX SOLUBILTY: .226199724
CALC MAX SOLUBILTY: .24720508

SOLUTE RADIUS N/ECOM: 7.88519322E-O9
SOLUTE RADIUS N/ECOM: 7.2267062E-O9
SOLUTE RADIUS N/ECOM: 6.77175473E-O9
SOLUTE RADIUS N/ECOM: 6.43232399E-09

OUTPUT FOR OXYGEN AND METAL NICKEL - NIO - (1620-1725)

INPUT FROM WRIEDT
TEMPERATURE: 1620
SOLUTE MAXIMUM SOL: 4.08E-05
METAL SURFACE TENSION: 1800

TEMPERATURE: 1720
SOLUTE MAXIMUM SOL: 9.53E-05
METAL SURFACE TENSION: 1780

OUTPUT
CALC MAX SOLUBILTY: .0264035455
CALC MAX SOLUBILTY: .0338800124

SOLUTE RADIUS N/ECOM: 9.99567406E-O9
SOLUTE RADIUS N/ECOM: 9.91305396E-O9

OUTPUT FOR OXYGEN AND METAL NICKEL - N10 (1725-2000)

INPUT FROM URIEDT
TEMPERATURE: 1820

233

SOLUTE MAXIMUM SOL: 2.03E-04
METAL SURFACE TENSION: 1760

TEMPERATURE: 1920
SOLUTE MAXIMUM SOL: 3.99E-04
METAL SURFACE TENSION: 1740

TEMPERATURE: 1970
SOLUTE MAXIMUM SOL: 5.46E-O4
METAL SURFACE TENSION: 1730

OUTPUT
CALC MAX SOLUBILTY: .0422985836
CALC MAX SOLUBILTY: .0516022064
CALC MAX SOLUBILTY: .0565655932

SOLUTE RADIUS N/ECOM: 9.82722893E-09
SOLUTE RADIUS N/ECOM: 9.7396765E-09
SOLUTE RADIUS N/ECOM: 9.69386586E-09

INPUT FROM KIMORA
TEMPERATURE: 1730
SOLUTE MAXIMUM SOL: .0107
METAL SURFACE TENSION: 1778

TEMPERATURE: 1830
SOLUTE MAXIMUM SOL: .0236
METAL SURFACE TENSION: 1758

OUTPUT
CALC MAX SOLUBILTY: .034680328
CALC MAX SOLUBILTY: .0431901492

SOLUTE RADIUS N/ECOM: 6.96385033E-09
SOLUTE RADIUS N/ECOM: 6.54504834E-09

OUTPUT FOR OXYGEN AND METAL NIOBIUM - Nb204

INPUT FROM HANSEN
TEMPERATURE: 2640
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 1990

TEMPERATURE: 2590

234

SOLUTE MAXIMUM SOL: .1
METAL SURFACE TENSION: 2000

TEMPERATURE: 2545
SOLUTE MAXIMUM SOL: .15
METAL SURFACE TENSION: 2009

TEMPERATURE: 2480
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 2021

OUTPUT
CALC MAX SOLUBILTY: .0849652463
CALC MAX SOLUBILTY: .0799992164
CALC MAX SOLUBILTY: .0756252806
CALC MAX SOLUBILTY: .0695670867

SOLUTE RADIUS N/ECOM: 6.6070913E-09

SOLUTE RADIUS N/ECOM: 5.72303118E-09
SOLUTE RADIUS N/ECOM: 5.13788889E-09
SOLUTE RADIUS N/ECOM: 4.65761065E-09

OUTPUT FOR OXYGEN AND METAL PLUTONIUM - Pb02

INPUT FROM HANSEN
TEMPERATURE: 1700
SOLUTE MAXIMUM SOL: .1
METAL SURFACE TENSION: 460

TEMPERATURE: 1920
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 445

OUTPUT
CALC MAX SOLUBILTY: .412694172
CALC MAX SOLUBILTY: .468563667

SOLUTE RADIUS N/ECOM: 9.66800292E-09
SOLUTE RADIUS N/ECOM: 8.73355594E-09

INPUT FROM HANSEN
TEMPERATURE: 1685
SOLUTE MAXIMUM SOL: .05
METAL SURFACE TENSION: 462

TEMPERATURE:
SOLUTE MAXIMUM SOL:

METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:

METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:

METAL SURFACE TENSION:

OUTPUT
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

235

1815
.1
450

1930
.15
443

2040
.2
437

.407868881
.444435694
.472004889
.496255995

SOLUTE RADIUS N/ECOM: 1.0955037E-08

SOLUTE RADIUS N/ECOM:

1.01000445E-08

SOLUTE RADIUS N/ECOM: 9.52812782E-09

SOLUTE RADIUS N/ECOM:

9.08437101E-O9

OUTPUT FOR OXYGEN AND METAL POTASSIUM - K20

INPUT FROM ADAMS
TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

TEMPERATURE:
SOLUTE MAXIMUM SOL:
METAL SURFACE TENSION:

370
91.15

470
84.62

570
.0146
78.09

670
.037
71.56

770
.087
65.03

236

TEMPERATURE: 820
SOLUTE MAXIMUM SOL: .12
METAL SURFACE TENSION: 61.76

OUTPUT
CALC MAX SOLUBILTY: .446742146
CALC MAX SOLUBILTY: .554943588
CALC MAX SOLUBILTY: .638838315
CALC MAX SOLUBILTY: .7051503
CALC MAX SOLUBILTY: .75863344
CALC MAX SOLUBILTY: .781649039

SOLUTE RADIUS N/ECOM: 1.64001149E-08
SOLUTE RADIUS N/ECOM: 1.74753525E-08
SOLUTE RADIUS N/ECOM: 1.84088028E-08
SOLUTE RADIUS N/ECOM: 1.84134167E-08
SOLUTE RADIUS N/ECOM: 1.78209605E-08
SOLUTE RADIUS N/ECOM: 1.75845633E-08

OUTPUT FOR OXYGEN AND METAL SCANDIUM - Sc203

INPUT FROM KUPRASHVILI - RUSSIAN - CHECKS ONE SOURCE
TEMPERATURE: 1830
SOLUTE MAXIMUM SOL: .34
METAL SURFACE TENSION: 1600

TEMPERATURE: 2070
SOLUTE MAXIMUM SOL: .37
METAL SURFACE TENSION: 1560

TEMPERATURE: 2270
SOLUTE MAXIMUM SOL: .4
METAL SURFACE TENSION: 1520

OUTPUT
CALC MAX SOLUBILTY: .057283469
CALC MAX SOLUBILTY: .0850110274
CALC MAX SOLUBILTY: .111898826

SOLUTE RADIUS N/ECOM: 3.68147072E-O9
SOLUTE RADIUS N/ECOM: 3.80675173E—O9
SOLUTE RADIUS N/ECOM: 3.87695862E-O9

237

OUTPUT FOR OXYGEN AND METAL SILICON - $102 - TWO UIDELY DIFFER
SOURCES

INPUT FROM HANSEN
TEMPERATURE: 1650
SOLUTE MAXIMUM SOL: .24
METAL SURFACE TENSION: 735

TEMPERATURE: 1770
SOLUTE MAXIMUM SOL: .3
METAL SURFACE TENSION: 723

TEMPERATURE: 1850
SOLUTE MAXIMUM SOL: .4
METAL SURFACE TENSION: 711

OUTPUT
CALC MAX SOLUBILTY: .232932478
CALC MAX SOLUBILTY: .262881631
CALC MAX SOLUBILTY: .28448919

SOLUTE RADIUS N/ECOM: 5.93213981E-09
SOLUTE RADIUS N/ECOM: 5.68995991E-09
SOLUTE RADIUS N/ECOM: 5.11742038E-09

INPUT FROM ARKHAROV - RUSSIAN
TEMPERATURE: 1688
SOLUTE MAXIMUM SOL: 3.98E-05
METAL SURFACE TENSION: 732

TEMPERATURE: 1873
SOLUTE MAXIMUM SOL: 9.77E-04
METAL SURFACE TENSION: 708

OUTPUT
CALC MAX SOLUBILTY: .242102604
CALC MAX SOLUBILTY: .290432322

SOLUTE RADIUS N/ECOM: 1.60196867E-08
SOLUTE RADIUS N/ECOM: 1.41916974E-08

238

OUTPUT FOR OXYGEN AND METAL SODIUM - N820

INPUT FROM ADAMS
TEMPERATURE: 370
SOLUTE MAXIMUM SOL: 4E-O6
METAL SURFACE TENSION: 202.1

TEMPERATURE: 470
SOLUTE MAXIMUM SOL: 3.9E-05
METAL SURFACE TENSION: 192.9

TEMPERATURE: 570
SOLUTE MAXIMUM SOL: 1.85E-04
METAL SURFACE TENSION: 183.7

TEMPERATURE: 670
SOLUTE MAXIMUM SOL: 5.35E-O4
METAL SURFACE TENSION: 174.5

TEMPERATURE: 770
SOLUTE MAXIMUM SOL: 1.17E-O3
METAL SURFACE TENSION: 165.3

TEMPERATURE: 820
SOLUTE MAXIMUM SOL: 1.62E-O3
METAL SURFACE TENSION: 156.1

OUTPUT
CALC MAX SOLUBILTY: .167531969
CALC MAX SOLUBILTY: .261209459
CALC MAX SOLUBILTY: .34849695
CALC MAX SOLUBILTY: .426611855
CALC MAX SOLUBILTY: .495510484
CALC MAX SOLUBILTY: .53651831

SOLUTE RADIUS N/ECOM: 1.58096757E-08
SOLUTE RADIUS N/ECOM: 1.64831766E-08
SOLUTE RADIUS N/ECOM: 1.71156376E-08
SOLUTE RADIUS N/ECOM: 1.78243656E-O8
SOLUTE RADIUS N/ECOM: 1.85852489E-08
SOLUTE RADIUS N/ECOM: 1.92546908E-08

INPUT FROM HANSEN
TEMPERATURE: 520
SOLUTE MAXIMUM SOL: 2.4E-04
METAL SURFACE TENSION: 188.3

TEMPERATURE: 645
SOLUTE MAXIMUM SOL: 515-04

239
METAL SURFACE TENSION: 176.8

TEMPERATURE: 705
SOLUTE MAXIMUM SOL: 1E-03
METAL SURFACE TENSION: 171.9

TEMPERATURE: 805
SOLUTE MAXIMUM SOL: 2.5E-03
METAL SURFACE TENSION: 162.1

OUTPUT
CALC MAX SOLUBILTY: .305924076
CALC MAX SOLUBILTY: .407969548
CALC MAX SOLUBILTY: .450441938
CALC MAX SOLUBILTY: .517556948

SOLUTE RADIUS N/ECOM: 1.59004477E-08
SOLUTE RADIUS N/ECOM: 1.74523812E-08
SOLUTE RADIUS N/ECOM: 1.76404019E-08
SOLUTE RADIUS N/ECOM: 1.80782469E-08

OUTPUT FOR OXYGEN AND METAL TIN - Sn02

INPUT FROM PARLEE
TEMPERATURE: 1223
SOLUTE MAXIMUM SOL: 5.66E-03
METAL SURFACE TENSION: 470

TEMPERATURE: 1523
SOLUTE MAXIMUM SOL: .022
METAL SURFACE TENSION: 440

OUTPUT
CALC MAX SOLUBILTY: .284510988
CALC MAX SOLUBILTY: .388697241

SOLUTE RADIUS N/ECOM: 1.21611544E-O8
SOLUTE RADIUS N/ECOM: 1.20462463E-08

INPUT FROM ALCOCK
TEMPERATURE: 810
SOLUTE MAXIMUM SOL: 1.3E-05
METAL SURFACE TENSION: 525

240

TEMPERATURE: 870
SOLUTE MAXIMUM SOL: 4.1E-05
METAL SURFACE TENSION: 519

TEMPERATURE: 970
SOLUTE MAXIMUM SOL: 2.07E-04
METAL SURFACE TENSION: 509

OUTPUT
CALC MAX SOLUBILTY: .120033641
CALC MAX SOLUBILTY: .142100597
CALC MAX SOLUBILTY: .179722116

SOLUTE RADIUS N/ECOM: 1.38080813E-08
SOLUTE RADIUS N/ECOM: 1.36383456E-08
SOLUTE RADIUS N/ECOM: 1.33253849E-O8

INPUT FROM RAPP
TEMPERATURE: 1020
SOLUTE MAXIMUM SOL: 4.85E-04
METAL SURFACE TENSION: 504

TEMPERATURE: 1120
SOLUTE MAXIMUM SOL: 1.82E-O3
METAL SURFACE TENSION: 494

TEMPERATURE: 1220
SOLUTE MAXIMUM SOL: 5.49E-03
METAL SURFACE TENSION: 484

OUTPUT
CALC MAX SOLUBILTY: .198657021
CALC MAX SOLUBILTY: .236295952
CALC MAX SOLUBILTY: .27318434

SOLUTE RADIUS N/ECOM: 1.30247447E-08
SOLUTE RADIUS N/ECOM: 1.25344819E-08
SOLUTE RADIUS N/ECOM: 1.20044915E-08

OUTPUT FOR OXYGEN AND METAL TITANIUM - T10

INPUT FROM HANSEN
TEMPERATURE: 2085
SOLUTE MAXIMUM SOL: .05

241
METAL SURFACE TENSION: 1568

TEMPERATURE: 2135
SOLUTE MAXIMUM SOL: .1
METAL SURFACE TENSION: 1558

TEMPERATURE: 2180
SOLUTE MAXIMUM SOL: .15
METAL SURFACE TENSION: 1548

TEMPERATURE: 2205
SOLUTE MAXIMUM SOL: .2
METAL SURFACE TENSION: 1541

OUTPUT
CALC MAX SOLUBILTY: .085452841
CALC MAX SOLUBILTY: .0919174643
CALC MAX SOLUBILTY: .0980193585
CALC MAX SOLUBILTY: .101685204

SOLUTE RADIUS N/ECOM: 6.61477206E-09
SOLUTE RADIUS N/ECOM: 5.88716816E—09
SOLUTE RADIUS N/ECOM: 5.41718356E-O9
SOLUTE RADIUS N/ECOM: 5.02948451E—09

OUTPUT FOR OXYGEN AND METAL URANIUM - U02 - S.T. UNSURE

INPUT FROM HANSEN
TEMPERATURE: 1380
SOLUTE MAXIMUM SOL: 8.27E-O6
METAL SURFACE TENSION: 1500

TEMPERATURE: 1470
SOLUTE MAXIMUM SOL: 9.49E-06
METAL SURFACE TENSION: 1485

TEMPERATURE: 1670
SOLUTE MAXIMUM SOL: 1.41E-05
METAL SURFACE TENSION: 1455

TEMPERATURE: 1870
SOLUTE MAXIMUM SOL: 1.95E-05
METAL SURFACE TENSION: 1425

TEMPERATURE: 2070
SOLUTE MAXIMUM SOL: 2.9E-05

METAL SURFACE TENSION:

TEMPERATURE:

SOLUTE MAXIMUM SOL:

METAL SURFACE TENSION:

OUTPUT

CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:
CALC MAX SOLUBILTY:

242
1395
2270

‘ o 96E-05
1365

.0285741907
.0367283218
.0578595802
.0827047384

CALC MAX SOLUBILTY: .110332597

CALC MAX SOLUBILTY:

SOLUTE RADIUS
SOLUTE RADIUS
SOLUTE RADIUS
SOLUTE RADIUS
SOLUTE RADIUS
SOLUTE RADIUS

N/ECOM:
N/ECOM:
N/ECOM:
N/ECOM:
N/ECOM:
N/ECOM:

.139900832

1.08748581E-08
1.12139018E-08
1.18665315E-08
1.25029777E-08
1.30497592E-08
1.34555084E-08

Appendix B Experimental Data

This appendix contains the experimental data used to analyze the
theoretical equations. The appendix contains solute activity
coefficient data, solute maximum solubility data, and solute solubility
ratio data (concentration over the square root of pressure).

The data is grouped by metals which are in alpabetical order.

An exmaple of a data entry will best serve to explain the format used:

J=* Parlee TMS AIME 1976 Vol 227 p245

7 0 0 0

1000 ’K - 6.754 K801

1000 ’K - 1.34E-3 Xmax

1000 ’R - .01 Xsol - 1.24E-4 ACSOL

The j-* signifies the solute. If the * is l the solute is
Hydrogen, 2 for Carbon, 3 for Nitrogen, and 4 for Oxygen. Parlee is
the author of the book or article. TMS AIME is the magazine
(Transactions of the Metal Society of AIME). 1976 is the year of
publication, Vol 227 is the volume of the magazine, and p245 is the
page number of the article.

The second row contains information in the form of four numbers
uich are keys. The first number tells what kind of experimental

243

244
technique was used to measure solubility data. The second number tells
what kind of experimental technique was used to measure activity
coefficient data. The third number tells the convention of the
activity coefficient. The fourth number tells if there is anything
special about the entry. The keys are explianed below.

The third, fourth, and fifth lines contain data. ’K signifies
degrees Kelvin for all three lines. Rsol signifies solubility ratio
data in units of atom fraction devided by the square root of
atmospheres. Xmax signifies maximum solubility data in units of atom
fraction. ACSOL is activity coefficient data. ACSOL is unit less.

Xsol is solubility data for the ACSOL activity coefficient data.

Explination of Solubility Experiment Key

0 - No solubility data given

1 - Hot volume technique

2 - Quenching technique

3 - Incipient melting of solids of known content

4 - Henries law technique, specific to Parlee article
5 - Calculation scheme, specific to Otsuka

6 - Melting technique, specific to Scarce

7 - Technique not reported

8 - Henries law technique, specific to Rapp

9

Evolution of gas during melting of a solid sample

10 - EMF technique

245

Explination of Activity Coefficient Experiment Key

0
I

No activity coefficient data given

H
I

EMF technique

N
I

Ploting of pressure verses solubility data, specific to Kor

3 - Computed from free energy and solubility ratio data

§
I

Equilibrium of Hydogen and Methane vapor, specific to

Turkdogan

Explination of Activity Coefficient Convention Key

0 - No activity coefficient data given

1 - Activity Coefficient equals one at solute infinite dilution

Explination of Unusual Data Key

C
I

Nothing unusual about the data

H
I

Solubility data given at one atmosphere only
2 - unsure of units of data

3

sample exposed to Hydrogen, specific to Nitrogen data
measurements

4 - activity coefficient data generated by Otsuka and fellow
workers

5 - Unusual phase diagram, may not apply well to theory of

246
surface
tension theory
6 - Something strange about article, but unable to put a finger
on it

9 - Unsure of activity coefficient convention

A few non-standard abreviations were used for titles. They

are:

IAN Metal - Izv Akad Nauk SSSR, Metal

TMS AIME - Trans Metal Soc AIME

Hansen (1) "Constitution of Binary Phase Alloys"
Hansen (2) - ”Constitution of Binary Phase Alloys, lst
Supplement”
Hansen (3) - ”Constitution of Binary Phase Alloys, 2nd
Supplement”

GTE

”The Handbook of Binary Phase Diagrams” Volume 1 &

1'1

3'2

970 ‘K -
1070
1170

1270

970 ‘K -
1070
1170

1270

1070 ‘K -
1270
1370

247

ALUMINUM

Hansen (2) - 39

0 1

1.51E-5 ksol
2.96
5.25

8.46

Bircumshaw, Trans Faraday Society

0 1

1.567E-6 ksol
5.574E-6
1.057E-5

2.004E-5

Hansen (3) - 18

O O

.0022 Xmax - 813 dyne/cm
.0031 783.5
.0035 768.5

1935 V0131 p51

ALUMINUM
j - 1 Hansen (2) - 39
7 0 0 1
970 ‘K - 1.51E-5 ksol
1070 2.96
1170 5.25
1270 8.46
1 - 1 Bircumshaw, Trans Faraday Society 1935 V0131 p51
1 0 0 l
970 ‘K - 1.567E-6 ksol
1070 5.574E-6
1170 1.057E-5
1270 2.004E—5
j = 2 Hansen (3) - 18
2 0 0 0
1070 ‘K - .0022 Xmax - 813 dyne/cm
1270 .0031 783.5
1370 .0035 768.5
1470 .0071 753.5

247

WHHWflWWm*fimm*W*************************************

ANTIMONY
j - 2 Hansen (1) - 378
7 0 O O
1330 ‘K - .00336 Xmax - 350 dyne/cm
1540 .00691 342
1600 .00956 335
J - 4 Stevenson J Electrochem Soc 1981 vol 130 p47

5 1 l 9 has Bismuth, Gallium 8 Indium data also

ACSOL - 5.97E5 * exp(-25020/T)
Xsol - 3.96E-2* exp(-2503/T)

T I 1023-1223 ‘R

0L.»

O‘LJ-

asks.

-4

=4

1023 ’K -
1123
1223

970 ’K -
1070
1100

6

1073 ‘K -

1

1073 ’K -
1123
1173
1223

0
L0g(Xmax)
1000 ’K -

1100
1175

248

.00338 X801 - .0000143 ACSOL
.00420 .000126
.00504 .000778

Otsuka Metal Trans 1979 Vol 10B p565
1 4 has Lead data also
.01 X801 - 5.34E-5 ACSOL

.01 2.63E-4

Otsuka Metal Trans 1981 Vol 12B p616
1 6
agrees with Otsuka data above

Otsuka Metal Trans 1981 Vol 128 p455
1 4

.01 Xsol - 1.19E-4 ACSOL
Stevenson J Chem Thermo 1972 V01 11 p627
3 0 article has Bismuth data also

.0327 1.31
.0446 1.68
.0868 1.95

NOTE - NOT USED - incorrect reference state for
regular solution and quasi-chemcial model

Jacob Z Metalk 1979 Vol 70 p366

O 0

= -5500/T + 1.754 T - 1000-1175 ’K
.000179 Xmax - 370 dyne/cm

.000568 365
.00118 358

249

BARIUM
j - 1 Franzen J Less Common Metals 1978 p65
1 O 0 O
1008 ’K - 6.789 ksol
1053 4.783
1113 2.895
1188 1.944
1223 1.627
j - 4 Hansen (2) - 152
7 0 0 0
1000 ‘K - .167 Xmax - 255 dyne/cm
1170 .211 250
1370 .277 245
1520 .318 237

HWH*fi***m*****m**iflmwm*flfl*m****HW***W*******

BISMUTH
j = 2 Griffith J American Chemical Society 1953 Vol 75 p1832
2 0 0 0
570 ‘K - 2.75E-5 Xmax - 362 dyne/cm
670 3.42 360
770 4.01 357
870 4.54 353
970 5.01 348
1070 5.22 343
j - 4 Same article and Technique as above
Log(Ut Frac) . -3400/T - 0.53 T 8 670-1020 ‘K

Equation written in units of weight
fraction. Data below in atom fraction.

670 ‘K - 3.322E-5 Xmax - 360 dyne/cm

770 1.515E-4 357
870 4.729E-4 353
970 1.231E-3 348
1070 1.828E-3 346

j - 4 Fitzner Z Metalk 1980 V01 71 p178

250

0 l 1 O
ln(ACSOL) - -125315 [(RT) + 13.87 [R T - 950-1150 ‘K
NOT USED - no data on solubility of Oxygen found or recorded 7??
j - 4 Stevenson J Electrochem Soc 1981 Vol 130 p47
5 1 1 9 has Antimony, Gallium and Indium data also
ACSOL - 157.59 * exp (-11488/T) T - 1023-1273‘K
Xsol - 0.34 * exp (-6406/T)
1023 ‘K - .000649 Xsol - .00209 ACSOL
1148 .00128 .00608
1273 .00222 .019
j - 4 Otsuka Metal Trans 1981 Vol 12B p427
O 6 l 4 article has Germanium data also
970 ‘K - .01 Xsol - 1.80E-3 ACSOL
1070 .01 5.85E-3
1170 .01 1.55E-2
j I 4 Stevenson J Cehm Thermo 1972 V01 11 p627
6 l 3 0 articel has Antimony data also
1073 ‘K - 1.54E-4 Xsol - .250 ACSOL
1123 1.93 .416
1173 2.63 .466
1223 3.42 .683

NOT USED - reference state not in agreement with that
of the regular solution and quasi-chemical

WHWMW***WWW”**HWW

i=1
7

0

1235 ‘K -
1250
1270
1320

CALCIUM
Hansen (2) - 241
0 0
.05 Xmax - 320 dyne/cm
.10 319
.15 318
.20 315

Hansen (1) - 403

251

7 0 0 0
1050 ‘K - .019 Xmax - 329 dyne/cm
1110 .05 326
1150 .10 324

j - 4 Hansen (2) - 244

7 0 O 0

1110 ‘K - .0015 Xmax - 326 dyne/cm
1620 .10 300

*******************************************************************************

CERIUM

3-2 GTE
7 0 O 2

870 ‘K - .355 Xmax - 1020 dyne/cm
1170 .300 1000

NOTE - surface tension data almost total guess

*******************************************************************************

CESIUM
j - 4 Adams J Less Common Metals 1975 Vol 42 pl
7 0 O 0 also has Lithium data
320 ‘K - .197 Xmax - 67.75 dyne/cm
420 .227 63.05
520 .256 58.35
620 .268 53.65
720 .304 48.95

**************************t****************************************************

CHROMIUM
j - 1 Heinstein Trans Metal Soc AIME 1963 Vol 227 p285
1 0 0 1 has Cobalt, Iron, and Nickel data

252

2180 ‘K - 3.3E-3 ksol

1750
1830
1950
2010
2080

1800
1850
1910
1990

1960
2000
2040
2080
2130

\K-

.113

Might contains Gibbs free energy data

Hansen (1) - 352

0 0 unsure of surface tension data
.136 Xmax - 1720 dyne/cm

.150 1700

.200 1680

.250 1660

.300 1640

GTE

0 0 unsure of surface tension data
.145 Xmax - 1705 dyne/cm

.170 1695

.200 1689

.250 1673

Humberty Trans Metal Soc AIME 1960 Vol 218 p1076
0 0 has Iron 8 Nickel data also
unsure surface tension data

.172 Xmax - 1664 dyne/cm

.156 1656
.142 1648
.129 1640

1630

Hansen (1) - 539
0 0 unsure surface tension data
.0738 Xmax - 1676 dyne/cm
.1234 1672

sample exposed to air
sample exposed to Hydrogen

Kalinyuk I.A.N. Metal 1974 Vol 1
0 0

p18

log (Xmax) I 0.5 * log(pressure in Pascal) - 4.69 + 2950/T

T I 1973-2488 ‘K

NOT PROCESSED - found late
Might have Gibbs free energy data

Hansen (1) - 547

O 0

253

2100 ‘R - .02 Xmax - 1610 dyne/cm

2173 .03 1600
2373 .04 1590
2473 .05 1580

Believe heat of formation data also given.
Checks with Trans Metal Soc Vol 203 p253

*
COBALT
j = 1 Weinstein Trans Metal Soc AIME 1963 Vol 227 p285
1 0 0 1 has Chromium, Iron, 8 Nickel data
1870 ‘K - .00128 ksol
1970 .00148
2070 .00172

Might contain Gibbs free energy data.
Checks with Busch Trans Metal Soc AIME 1960 Vol 218 p490

j I 2 Hansen (2) - 211
2 0 0 0
log (Xmax) I -1093.8/T - .245 T = l620-1820‘K
1620 ‘K - ,120 Xmax - 1880 dyne/cm
1720 .132 1855
1820 .143 1830

Checks with Turkdogan J Iron Steel Inst (London)
1956 Vol 182 p274

j I 3 Pehlke Trans Metal Soc AIME 1966 Vol 236 p28

Either lost data or above is useless reference

1 I 4 Hansen (1) - 487

7 O 0 0
1720 ‘K - .00847 Xmax - 1855 dyne/cm
1760 .020 1845
1820 .040 1830

j I 4 Hansen (2) - 327

254

7 0 O 4
1820 ‘K - .0070 Xmax - 1830 dyne/cm
1870 .0088 1820
1920 .0103 1810

Taken by Hansen from Russian Source

*WWWWW

COPPER
j I l Parlee Metal Trans 1970 Vol 1 p5377
7 0 O 1 also has Nickel data
1923 ‘K - 9.08-4 ksol
j I 1 Hansen (1) - 587
l 0 0 O
1400 ‘K - 3.43E-4 ksol
1510 4.57
1619 5.11
1690 6.86

Checks with Bever Trans Metal Soc AIME 1942 ?????
Bever also has Tin data.

j I 1 Degtyaren I.A.N. Metal 1970 Vol 4 p42
1 0 1 1

Solubility predictions; as far as I can tell (article translated
from Russian), the data from this article is extremely different
the other three sources. The data from this source was NOT USED.

1 I 2 Hansen (1) - 353
2 0 O 0
1370 ‘K - 5.30E-6 Xmax - 1300 dyne/cm
1570 7.94E-6 1282
1770 2.65E-5 1265
1970 1.59E-4 1247
j I 4 Otsuka Metal Trans 1981 Vol 128 p501
0 1 1 4

1370 ‘K - .01 X801 - .1323 ACSOL
1470 .01 .2047

255

1550 .01 .2816
Checks with:

Fitzner Metal Tech 1973 p273
Wilder Trans Metal Soc AIME 1966 Vol 236 p1035
Jacob Trans Inst Mining 8 Metal 1971 Vol 80 pC32
Kalkarni Metal Trans 1973 Vol 4 p1713

3 I 4 Rapp Metal Trans 1973 Vol 4 p61

7 0 O 1

NOT USED - data contained within did not correspond well with
other data found.

j I 4 Hansen (1) - 487
0 0 0 0
1373 ‘K - .023 Xmax - 1290 dyne/cm
1473 .067 1280
j I 4 Parlee High Temp Sci 1982 Vol 15 p55
7 0 O 0

1223‘K - .00699 Xmax - 1310 dyne/cm

WWW*WW*WW

ERBIUM
j I 4 Hansen (2) - 402
7 0 0 5
1800 ‘K - .20 Xmax
1900 .25
2150 .30

NOT USED - screwy phase diagram and a total lack of
surface tension data.

WWW

GALLIUM
j I 4 Alcock J Less Common Metals 1977 Vol 53 p211
2 0 O 0

log (Xmax) I -7380/T + 2.264 T I 1050-1400 ‘K

256
10g (ksol) I -11514/T + 1.474 T I 1050-1400 ‘K

1050 ‘K - 2.89E-10 ksol - 1.72E-5 Xmax - 642.5 dyne/cm

1150 2.60E-9 7.02E-5 632.4
1250 1.64E-8 2.29E-4 622.3
1350 7.91E-8 6.27E-4 612.2
3 I 4 Stevenson J Electrochem Soc 1980 Vol 130 p47
5 1 1 4 has Antimony, Bismuth 8 Indium data
ACSOL I 27450 I exp (-30943/T) T I 1023-1273 ‘K

Xsol I 5.26 * exp (-22528/T)

1023 ‘K - 6.59E-5 X801 - 2.006E-9 ACSOL

1123 1.80E-4 2.965E-8
1223 4.16E-4 2.822E-8
1273 6.02E-4 7.622E-8

W**WW**W**WHWWW**WW“*W

3‘1
0

GERMANIUM

Petrushevski Izv V.U.Z. Chern Metal 1976 Vol 6 p5
0 0 4

log (Xsol) I 0.5 log (Hydrogen pressure in Pascal) - 750/T - 4.97
T I 1770-1970 ‘K

1770 ‘K - 3.73E-4 ksol
1870 3.82
1970 3.89

Might contain Gibbs free energy data.

Scarce J Chem Phys 1957 Vol 30 p1551

0 0 0 has Silicon data also
surface tension data unsure due to high temp

log (Xmax) I -26316/T + 6.895 T I 3000-3400 ‘K
3000 ‘K - .0133 Xmax - 330 dyne/cm
3100 .0255 320
3200 .0470 310
3300 .0833 300

Otsuka Met Trans 1981 Vol 12B p427

1 1 0

1230 ‘K - .01 X801 - 4.58E-5 ACSOL
1330 .01 2.66E-4

257

j I 4 Jacob Metal Trans 1977 Vol 8B p669
2 0 0 0
log (Xmax) I ~6470/T + 2.24 T I 1233-1400 ‘K
1230 ‘R - 9.55E-4 Xmax - 670 dyne/cm
1330 2.37E-3 600
1400 4.16E-3 550

Wfimfit**mmmmmt

HAFNIUM
j I 2 Hansen (3) - 145
7 0 0 5 surface tension data unsure
2480 ‘K - .095 Xmax - 1600 dyne/cm
2820 .15 1560
3160 .20 1530
3400 .25 1500
3685 .30 1480
j I 2 GTE
7 0 0 5 surface tension data unsure
2630 ‘R - .05 Xmax - 1580 dyne/cm
3110 .07 1535
3680 .15 1480
4080 .30 1440
j I 4 Karnilov I.A.N. Neorg Mater 1965 Vol 1 p1778
7 0 0 0
2570 ‘K - .30 Xmax - 1590 dyne/cm
2670 .35 1580
2770 .40 1570
2860 .45 1560
2950 .50 1550

mmmmmmmmmnm

INDIUM

j I 4 Otsuka Metal Trans 1980 Vol 11B p313
0 1 1 4

258

970 ‘K - .01 X801 - 1.53E-7 ACSOL

1070 .01 1.19E-6

1170 .01 6.48E-6
j I 4 Otsuka Metal Trans 1981 Vol 12B p455
O 1 1 4

1070 ‘K - .01 - 2.62E-2

NOT USED - does not compare well with other data

1 I 4 Stevenson J Electrochem Soc 1980 Vol 130 p47
5 1 1 9 has Antimony, Bismuth, 8 Gallium data
ACSOL I 54.598 exp (-19213/T) T I 1023-1273 ‘K

Xsol I 3.287 exp (-9443/T)

1050 ‘K - 4.08E-4 Xsol - 6.17E-7 ACSOL

1150 8.93E-4 3.03E-6

1250 1.72E-3 1.15E-5
j I 4 Jacob J Less Common Metal 1977 V01 52 p279
2 0 0 0

log (Xmax) I -4726/T + 1.73 T I 920-1100 ‘K

920 ‘K - 3.92E-4 Xmax - 510 dyne/cm

1000 1.01E-3 500

1100 2.71E-3 486

WW”WW*RWWWW

IRON

j I 1 Weinstein 1963 Vol 227 p285

1 0 0 1 has Chromium, Cobalt, & Nickel data also
1810 ‘K - 1.25E-3 ksol
1910 1.43
2000 1.60
2100 1.77

Checks with:

Busch Trans Metal Soc AIME 1960 Vol 218 p490
Gunji Trans Natl Res Inst for Metals 1964 Vol 6 p202
Parlee Metal Trans 1970 Vol 1 p5377

Pehlke Metal Trans 1974 Vol 5 p399

259

j I 1 Lakomski Dokl Akaud Nauk S.S.S.R 1960 Vol 147 p628
1 0 O 2
1950 ‘K - 1.924E-3 ksol
2300 1.83
2580 1.31
2730 1.06
1 I 2 Turkogan Acta Metal 1956 Vol 4 p396
7 0 0 0
log (Xmax) I -560/T - 0.375 T I 1570-1870‘K
1570 ‘K - 0.1855 Xmax - 1840 dyne/cm
1670 0.1948 1820
1770 0.2035 1800
1870 0.2116 1780

Has interesting ideas on the calculation of Carbon activity.
Did not investigate the ideas.

j I 2 Grigorovich I.A.N. Neorg Mater 1963 V01 1 p1764
7 0 0 0

1420 ‘K - .171 Xmax - 1870 dyne/cm

1710 .200 1812

2300 .250 1694

2600 .300 1634

Above for graphite - Iron equilibrium conditions

1420 ‘K - .171 Xmax - 1870 dyne/cm
1500 .200 1854
1670 .250 1820
Above for Fe3C - Fe equilibrium conditions

3 I 3 Busch Tran Metal Soc AIME 1960 Vol 218 p490
1 0 O 1 has Hydrogen-Iron data which checks with
four other sources (above)
also has Cobalt data

1870 ‘K - 1.576E-3 ksol

j I 3 Parlee Trans Metal Soc AIME 1958 p86
1 0 O 1

1770 ‘K - 1.7OE-3 ksol

1870 1.75

1970 1.81

2070 1.87

260
2170 1.93
Checks with

Humberty Trans Metal Soc AIME 1960 Vol 218 p1076
Pehlke Trans Metal Soc AIME 1960 Vol 218 p1088

3 I 3 Dodd Trans Metal Soc 1961 Vol 221 p233
2 0 0 1

1820 ‘R - 1.60E-3 ksol

j I 3 Chem Abstacts 1975 abstract #100266h
7 0 O 1
1700 ‘R - 1.05E-3 ksol
1800 1.28
1900 1.53
3 I 3 Uda Trans Natl Res Inst Metals 1968 Vol 10 p21
2 0 0 0

2470 ‘K - 2.145E-3 ksol

j I 4 Nriedt Trans Metal Soc AIME 1955 p477
7 0 0 0 Nickel data also
1820 ‘K - 6.28E-3 Xmax - 1795 dyne/cm
1870 8.03E-3 1790 dyne/cm
1920 9.77E-3 1785 dyne/cm
1970 1.19E-2 1780 dyne/cm

Checks with ????? Ian Otd Tekhn Nauk 1957 Vol 8 p120

W‘k‘k‘k'k*‘k‘k'k‘k‘k*************I*'k********‘A'*****************************************

LANTATHANUM
j I 1 Peterson J Phys Chem 1966 Vol 70 p2980
1 0 0 0 surface tension data very unsure

1200 ‘K - .05 Xmax - 1600 dyne/cm

1210 .10 1595
1220 .15 1590
1240 .20 1585
1300 .30 1575
1350 .40 1565

1-1

261

LEAD

Opei Trans Metal Soc AIME 1951 p244

Either bad reference or lost data

5-4
0 1
1070 ‘K -
1170
1270
1320
3-4
8 0

log (Xmax) = -5600/T +

Otsuka Metal Trans
1 4

1979 Vol 103 p565
has Antimony data also

.01 X801 - 9.42E-4 ACSOL

.01 20928-3
.01 7.38E-3
.01 1.13E-2

Rapp High Temp Science 1972 Vol 4 p437
0

0

1.87 T = 1050-1350 ‘K

1050 ‘K - 3.44E-4 Xmax - 420 dyne/cm

1150
1250
1350

1-4
10 O

780
870
970

670
770
870
970
1070
1170

870
970
1030

1.00E-3 415
2.45E-3 410

Alcock Trans Faraday Soc 1964 Vol 60 p822

0 0

7.40E-5 Xmax - 439 dyne/cm
3.18E-4 435

1.36E-3 430

Hansen (3) - 563

0 O

1.30E-4 Xmax - 445 dyne/cm
2.60E-4 440

5.80E-4 435

1.17E-3 430

2.33E-3 425

4.94E—3 420

Hansen (1) - 1065

O 5

2.00E-4 Xmax - 435 dyne/cm

l e DOE-'3

430
427

262

j I 4 Charle Z Phys Chem 1976 Vol 99 p199
0 O 0 0 in German
log (Xsol) I 0.5 log (pressure in Pascal) + 6260/T - 5.33
T I 1000-1340 ‘K
log (Xmax) I -5060/T + 2.30 T I 1000-1143 ‘K
log (Xmax) I -4450/T + 1.86 T I 1143-1340 ‘K
1000 ‘K - 2.08E-1 ksol - 1.73E-3 Xmax - 428 dyne/cm
1100 1.18E-1 5.01E-3 423
1143 ::::::: 7.47E-3 421
1143 ::::::: 9.26E-3 421
1200 7.33E-2 ::::::: :::
1240 ::::::: 1.87E-2 416
1300 4.91E—3 ::::::: :::
1340 ::::::: 3.46E-2 411

Might have Gibbs free energy data

*********************************‘k*****************WWH**WW***

760 ‘K -
920

960
1090

i=1
7 O

LITHIUM
Hansen (2) - 498
0 0
.05 Xmax - 352 dyne/cm
.10 320
.15 312
.20 290

Hubbersty J Less Common Metal 1979 Vol 49 p253
0 0 has Potassium 8 Sodium data also

10g (Xmax) I -2308/T + 1.523 (for Hydrogen) T I 470-820 ‘K
log (Xmax) I -2873/T + 2.321 (for Dueterium) T I 550-750 ‘K

470 ‘K -
550
650
750
870

jI183
s 0

Hydrogen Dueterium

4.10E-4 Xmax - ::::::: Xmax - 400 dyne/cm
2.12E-3 1.25E-3 386

9.38E-3 7.96E-3 370

2.79E-2 3.09E-2 354

7.41E—2 ::::::: 343

Adams J Less Common Metals 1975 Vol 42 p325
0 0 has Potassium 8 Sodium data also

log (Xmax) I -2308/T + 1.523 (for Hydrogen) T I 520-775 ‘R
log (Xmax) I -2036/T + 1.168 (for Nitrogen) T I 470-705 ‘K

263

Hydrogen data duplicates Hubbersty data above.

500
600
700

3.1929
7 0

900
950

570
670
770
870
970
1000

680
830
970
1070
1170

3-253

\I
o

1010
1055
1070
1090

520
620
720

\K-

1.25E-3 Xmax - 390 dyne/cm

5.95E-3 374

1.82E-2 358

4 Adams J Less Common Metal 1975
0 0

Hydrogen

1.17E-1 Xmax - 334 dyne/cm

1.88E—1 326

Carbon Nitrogen Oxygen
1.05E—2 Xmax - 7.50E-4 Xmax - 9.90E—5
1.7OE-2 6.70E-3 4.88E-4
3.00E-2 6.50E-2 4.25E-3
::::::: 1.15E-l :::::::
::::::. 2.10E-1 .::::::
Hansen (2) - 219

O O

1.16E-2 Xmax - 373 dyne/cm

2.00 346

3.20 322

5.20 306

9.12 290

Hansen (2) - 582

0 0

Carbon

5.00E-2 Xmax - 316 dyne/cm

1.50E-1 306

2.00E-1 303

Nitrogen

2.00E-4 Xmax - 394 dyne/cm

6.50E-3 362

For Nitrogen:

Vol 42 p1

Xmax - 386
370
354
338
322
319

dyne/cm

Astm Special Tech Publication 1960 Vol 272 p195

0 O

264

520 ‘R - 9.6OE-6 Xmax - 394 dyne/cm

570 2.05E-5 ° 386
620 3.74E-5 378
MAGNESIUM
j I 1 Hansen (2) - 500
7 0 0 0
950 ‘K - 1.00E-3 ksol
1000 1.3OE-3
1050 1.37E-3

mmmuwmmmmmfim

MANGANEESE

j I 1 Hansen (1) - 785
1 0 0 1

1530 ‘R - 2.94E-3 ksol

j I 1 Levin Tran Ural Politech Inst 1974 Vol 231 p86
0 O 0 1
log (Xsol) I 0.5 * log (pressure in Pascal) - 1590/T - 4.40

T I 1623-1718 ‘K

1620 ‘K - 3.78E-4 ksol

1720 4.00E-4

j I 2 Hansen (3) - 148 -

2 0 0 0 unsure of surface tension data
log (Xmax) I -37S.8/T - 0.347 T I 1620-1870 ‘K
1620 ‘K - .2636 Xmax - 1090 dyne/cm
1720 .2720 1070
1820 .2796 1050
1870 .2866 1040

I 2 Hansen (1) - 368

NEI-

0 0 0

265

1500 ‘K - .057 Xmax - 1114 dyne/cm

1565 .150 1103
1590 .200 1096
1610 .250 1092
j I 2 Hansen (2) - 220
2 0 0 0
1580 ‘R - .265 Xmax - 1094
1620 .272 1090
1720 .280 1070
1870 .292 1040
j I 3 Kor Metal Trans 1978 Vol 98 p97
2 2 1 9

log (ksol) = -2071/T + 0.16
1570 ‘K - 6.93E-2 ksol

1670 8.32
1770 9.77

1570 ‘K - .02 Xsol - 1.09 ACSOL

1570 .06 1.30
1570 .10 1.55
1670 .02 1.13
1670 .06 1.43
1670 .10 1.82
1770 .02 1.16
1770 .06 1.54
1770 .10 2.06

ACSOL data NOT USED - unsure of reference state
j I 3 Goken Trans Metal Soc 1961 Vol 221
2 0 O 1

Not sure exactly what is measured
J I 4 Hansen (3) - 503
2 0 O 0

1670 ‘R - 6.42E-4 Xmax - 1080 dyne/cm

1770 9.34E-4 1060
1870 1.31E-3 1040

p200

266

j I 4 Jacob Metal Trans 1981 Vol 123 p675
8 O O 0
log (Xmax) I -9070/T + 2.3 T I 1500-1900 ‘K
1500 ‘R - 1.79E-4 Xmax - 1114 dyne/cm
1600 4.28E-4 1094
1700 9.22E-4 1074
1800 1.82E-3 1054
1900 3.36E-3 1034

WWW

MOLYBDENUM
j I 2 Rudy Trans Metal Soc AIME 1967 Vol 239 p 1247
3 0 O 0 unsure surface tension data

2470 ‘K - .17 Xmax - 1065 dyne/cm

2600 .20 1090

2700 .25 1110
j I 3 Herman J Less Common Metal 1978 V01 58 p85
0 0 0 O

2200 ‘K - 7.57E-3 ksol

2400 8.08

2600 8.54

2800 8.96

2090 ‘K - .20 Xmax - 985 dyne/cm

2180 .25 1008

3250 .30 1200
j I 3 Domke Scripta Metal 1974 V01 8 p289
2 0 0 1

2920 ‘K - 8.42 ksol

NOTE -
Herman; above, stated that quenching was an unsatisfactory technique
for the Nitrogen-Molbdenum system as it gave a ”spongy” solid.
Herman used some kind of calculation technique.
Domke; above, used quenching. He quenched in liquid Nitrogen.
Herman did not specify his quenching agent.
The data of Domke Dokl Akad Nauk SSSR 1969 Vol 184 p398
was ignored as it did not agree with the data of Herman and Domke.

j I 4 Kozina I.A.N. SSSR Metal 1970 Vol 1 p56
7 0 0 0

267

3000 ‘R - 1.71 ksol

ksol drived a calculation scheme which was not understood.

ifihk****************************************************************************

NEODYNUM
j I 4 Hansen (2) - 653
7 0 0 5 unsure surface tension data
1300 ‘K - .05 Xmax - 688 dyne/cm
1400 .10 678
1470 .15 668
1540 .20 658

‘*******************************************************************************

NICKEL
j I 1 Parlee Metal Trans 1970 V01 1 p5377
7 0 0 1 has Silver data also

1923 ‘K - 2.54E-3 ksol

j I 1 Neinstein Trans Metal Soc AIME 1963 Vol 227 p285
1 0 0 1 has Chromium, Cobalt, & Iron data also
1800 ‘K - 2.27E-3 ksol
1900 2.43
2000 2.60

Checks with Busch Trans Metal Soc AIME 1960 Vol 218 p60
1 I 2 Hansen (3) - 151
2 0 0 2

1620 ‘K - .097 Xmax - 1800 dyne/cm

1720 .104 1780

1820 .111 1760

1920 .118 1740

2020 .124 1720
j I 3 Humberty Trans Metal Soc AIME 1960 Vol 218 p1076
1 0 O 1 has Chromium 8 Iron data also

268

1870 ‘R - 2.10E-5 ksol
believe netal exposed to Hydrogen during experimental runs

1 I 4 Hriedt Trans Metal Soc AIME 1955 p477
2 O 0 0 has Iron data also
1620 ‘R - 4.08E-5 Xmax - 1800 dyne/cm
1720 9.53E-5 1780
1820 2.03E-4 1760
1920 3.99E-4 1740
1970 5.46E-4 1730
j I 4 Kemori J Chem Thermo 1981 Vol 13 p 313
2 1 1 4
1n (Xmax) I -25080/T + 9.960 T I 1722-1859 ‘K

1730 ‘R - .0107 Xmax - 1776 dyne/cm
1830 .0236 1736
Note large difference between Hriedt and Kemori results. Why ???

1730 ‘K - .01 Xsol - .247 ACSOL
1830 .01 .324

WWW*H*W

NIOBIUM
j I 1 Lokomski Dokl Akaud Nauk SSSR 1965 Vol 165 p1091
2 O 0 2 -
2900 ‘K - .0115 ksol
3000 .0110
3100 .0106

Duplicated in Lakomski I.A.N. Metal 1968 Vol 4 p28

j I 2 Kimura Trans Japan Inst Metal 1961 Vol 2 p98
3 0 0 0 unsure of surface tension data
2610 ‘K - .135 Xmax - 1994 dyne/cm
2880 .200 1978
3110 .250 1932
3280 .300 1898

Checks with GTE

j I 3 Revyakin I.A.N. Metal 1968 p28
7 0 0 O has Tantalum & Vanadium data also

2800 ‘R - .733 ksol

269

j I 4 Hansen (2) - 263
3 0 O 5

2640 ‘R - .05 Xmax - 1990 dyne/cm

2590 .10 2000

2545 .15 2009

2480 .20 2021

PALLADIUM

j I 1 Ralinyuk Zh Fiz Khim 1980 vol 54 p2815
2 O O O

1870 ‘K - 9.40E-3 ksol
2363 7.52

WW“H**WW*HWWWW*

PLUTONIUM
j I 1 Hansen (2) - 504
7 0 0 0
970 ‘K - .050 Xmax - 535 dyne/cm
1070 .075 ' 520
j I 2 Hansen (2) - 225
7 0 0 0
1275 ‘K - .05 Xmax - 500 dyne/cm
1420 .10 485
1550 .15 475
1650 .20 465
j I 4 Hansen (2) - 689
7 0 0 0
1685 ‘R - .05 Xmax - 462 dyne/cm
1815 .10 450
1930 .15 443
2040 .20 437

J ' 4 Hansen (3) - 568

270

7 0 0 0
1700 ‘K - .10 me - 460
1920 .20 445
POTASSIUM
j I 1 Hubbersty J Less Common Metal 1979 Vol 49 p253
7 O 0 0 has Lithium 8 Sodium data also
log (Xmax) I -2994/T + 2.305 T I 400-700 ‘K
400 ‘K - 6.61E-6 Xmax - 89.19 dyne/cm
500 2.08E-4 82.66
700 1.07E-2 69.60
j I 1 Arnil’dov I.A.N. Metal ????
1 0 0 0
log (Xmax in weight frac) I -2930/T + 0.8 T I 600-770 ‘K
log (saturation pressure in mm Hg) I -5860/T + 11.3
570 ‘K - 1.79E-3 Xmax - 78.09 dyne/cm
670 1.05E-2 71.56
770 3.86E-2 65.03
Proposes a value for ksol which is constant over a temperature
range.
320 to 720 ‘K - 14.2 Height Z Hydrogen / (pressure in mm Hg) ‘ 1/2
3 I 4 Adams J Less Common Metal 1975 Vol 42 p325
7 0 0 0
470 6.70E-3 84.62
770 8.80E-2 65.03
820 1.20E-1 61.76
j I 4 Leffler J Phys Chem 1964 Vol 68 p2882
9 0 0 O

775 ‘K - e 640 xmax
875 .536
975 .632

271

NOT USED - data is strange.

RHENIUM
j I 2 Hughes J Less Common Metal 1959 Vol 1 p 377
2 0 0 0 unsure of surface tension

2770 ‘K - .169 Xmax - 2780 dyne/cm

2870 .20 2769
2970 .23 2740
3040 .25 2720

W*HWWW*MW**W**WW*

SCANDIUM
j I 4 Ruprashvili I.A.N. Neorg Mater 1969 Vol 5 p2123
3 0 0 0 surface tension data is guess
1830 ‘K - .34 Xmax - 1600 dyne/cm
2070 .37 1560
2270 .43 1520

Checks with GTE.

WWWWflWWWWWWW*

SILICON

j I 1 Kostina I.A.N. Neorg Mater 1970 Vol 6 p117
1 0 0 l

1800 ‘K - 1.99E-2 ksol

1900 2.93

2000 4.16

2100 5.71

2200 7.62
j I 2 Laplev Izv Vuz Chern Metal 1974 Vol 8 p13
0 0 0 O in Russian

delta Gibbs free energy (jlmole) I -115520 + 37.30 * T 1688-2270 ‘K
j I 3 Scarce J Chem Phys 1957 Vol 30 p1551
6 0 O 0

2000 ‘R - 7.508-4 Xmax - 700 dyne/cm
2200 2.7OE-3 680

272

2500 1.33E-2 650
2700 3.13E-2 630
2900 6.53E-2 610
J ' 4 Hansen (3) - 572
7 0 0 0
1650 ‘R - .24 Xmax - 735 dyne/cm
1770 .30 723
1850 .40 711
j I 4 Arkharow Ukr Rhim Zhur 1974 Vol 40 p129
0 0 O 0 in Russian

1688 ‘K - 3.98E-5 Xmax - 732 dyne/cm
1873 9.77E-4 708

WWHHWHW*WWW

SILVER
3 I 1 Parlee Metal Trans 1970 Vol 1 p5377
7 0 0 1 has Nickel data also
1282 ‘K - 2.37E-5 ksol
1587 8.41E-5
1973 2.04E-4
j I 2 Hansen (1) - 11
7 0 0 0
1930 ‘K - 1.08E-4 Xmax - 800.2 dyne/cm
2005 2.25 787.1
1 I 4 Otsuka Metal Trans 1981 Vol 128 p501
0 1 0 9
1270 ‘K - .01 Xsol - 47.67 ACSOL
1370 .01 53.11
1470 .01 58.64

NOT USED - unsure of standard state

1 I 4 Hansen (1) - 37
7 O O 1

1210 ‘K - 2.15E-2 ksol
1825 1.35E-2

hot—A.

HLA.

\lu

N“

I 1

I 1

-2

273
2130 1.01E-2

2440 3.37E-3
Checks with Parlee Trans Metal Soc AIME 1965 Vol 233 p1918

SODIUM

McClure J Phys Chem 1965 Vol 69 p 3542
0 0 0

log (weight percent) I -2800/T + 2.20 T I 475-630 ‘K

475 ‘K - 4.92E-5 Xmax - 183.2 dyne/cm

530 1.9OE-4 187.4
630 1.31E-3 178.2
Addison J Cehm Soc London 1965 p116
0 0 0
log (weight percent) I -5021/T + 6.211 T I 520-593 ‘K
520 ‘K - 8.26E-5 Xmax - 188.3 dyne/cm
570 5.80E-4 183.7
593 1.28E-4 181.7
Hubbersty J Less Common Metal 1979 Vol 49 p253
0 0 0 has Lithium & Potassium data also
log (Xmax) I -3019/T + 1.818 T I 400-700 ‘R
400 ‘K - 1.86E-6 Xmax - 199.3 dyne/cm
500 6.03E-5 190.1
600 6.11E-4 180.9
Williams J Phys Chem 1957 Vol 61 p379
0 0 0
600 ‘K - 1.60E-3 Xmax - 180.9 dyne/cm
660 1.00E-2 175.4
720 4.00E-2 169.9
Salzano Nuclear Tech 1972 Vol 13 p289
0 0 0

log (weight fraction) I -2440/T - 2.30 T I 850-970 ‘K

850 ‘K - 1.61E-5 Xmax - 150 dyne/cm
970 3.70 147

274

j I 2 Hansen (2) - 222
7 0 0 .
420 ’K - 6.20E-5 Xmax - 197.5 dyne/cm
570 9.00E-5 183.7
970 1.44E-4 146.9
1 I 4 Hansen (2) - 248
7 0 0
520 ‘K - 2.40E—4 Xmax - 188.3 dyne/cm
645 5.00E-4 176.9
750 1.50E-3 167.1
805 2.50E-3 162.1
j I 4 Adams J Less Common Metal 1975 Vol 42 p325
7 0 0 0 has Lithium & Potassium data also
370 ‘K - 4.06E-6 Xmax - 202.1 dyne/cm
470 3.90E-5 192.9
570 1.85E-4 183.7
670 5.34E-4 174.5
770 1.17E-3 165.3
820 1.62E-3 156.1

MWHWW*W“**“WHW**WWWW*MW*WW

STRONTIUM

j I 1 Peterson J Less Common Metal 1980 Vol 72 p251
1 0 0 0

1070 ‘K - 2.61 ksol

1170 1.52
1 I 1 Hansen (3) - 409
7 0 0 5

1050 ‘K - .05 Xmax - 282 dyne/cm

1065 .10 283

1095 .20 287

TANTALUM

275

1-2 GTE
7 0 0 O
3120 ‘R - .12 Xmax - 2146 dyne/cm
3255 .15 2120
3450 .20 2080
j I 2 Hansen (1) - 381
3 0 0 5
3070 ‘K - .08 Xmax - 2155 dyne/cm
3150 .10 2140
3305 .15 2110
3455 .20 2080
j I 3 Revyakin I.A.N. Metal 1968 p28
7 O 0 0 has Niobium and Vanadium data

3310 ‘K - .383 ksol

W‘k‘kfim'k'k‘k****H*******************************************************

TELLURIUM
j I 4 Otsuka Metal Trans 1980 Vol 11B p119
0 l l 4

820 .01 2.69E-2

276

THALLIUM
j I 4 Otsuka Metal Trans 1980 Vol 11b p313
0 1 1 4
973 ‘K - .01 Xsol - 1.66E-3 Acsol
1173 .01 1.15E-2
THORIUM

j I 2 Hansen (2) - 231
7 0 0 5

1900 ‘K - .07 Xmax

2010 .10

2270 .15

2490 .20

NOT USED - phase diagram is unusual, surface tension data is
non-existant

WWW

TIN

j I 1 Parlee Metal Trans 1970 Vol 1 p5377
7 0 O 1 has Nickel 8 Silver data also

1282 ‘K - 4.58E-6 ksol

1587 4.30E-5

1923 2.23E-4
j I 1 Bever Trans Metal Soc Aime 1942 ?????
1 0 0 1

1273 ‘K - 4.24E-6 ksol

1373 9.54E-6

1473 2.17E-5

1573 3.76E-5
j I 1 Hansen (1) - 796

7 0 0 1

277

670 ‘K - 4.66E-5 ksol

830 6.04E-5
980 7.42E-5
1070 9.86E-5
1170 1.48E-4
1280 1.55E-4
j I 4 Alcock Trans Faraday Soc 1965 Vol 61 p443
EMF 0 0 O
810 ‘K - 1.30E-5 Xmax - 525 dyne/cm
870 4.10E-5 519
970 2.07E-4 509
j I 4 Rapp Metal Trans 1072 Vol 3 p3239
8 0 O 0
log (Xmax) I -15098/T + 9.775 T I 1020-1220 ‘K
log (ksol) I 20131/T - 2.825
1020 ‘K - 4.85E-4 Xmax - 504 dyne/cm
1120 1.82E-3 494
1220 5.49E-3 484

ksol values NOT USED as they are huge

j I 4 Parlee High Temp Sci 1982 V01 15 p55
7 0 0 0

1223 ‘K - 5.66E-3 Xmax - 470 dyne/cm

1523 2.20E-2 440
j I 4 Otsuka Metal Trans 1981 V01 12B p427
O 1 1 4

970 ‘K - .01 Xsol - 4.03E-7 ACSOL

1070 .01 3.07E-6

1170 .01 1.66E-S

Checks with Fitzner Z Metallk 1981 p512

j I 4 Nover Trans Inst Min Met C 1972 Vol 81 p063

Found late NOT PROCESSED. Has max solubility and Gibbs free
energy data.

278

TITANIUM
1-2 GTE
7 0 O 5
1920 ‘K - .015 Xmax - 1600 dyne/cm
1950 .050 1594
2020 .100 1580
2115 .150 1561
2320 .200 1520
j I 2 Hansen (1) - 384
7 O O 0
2110 ‘K - .05 Xmax - 1562 dyne/cm
2210 .10 1542
2350 .15 1514
2490 .20 1486
j I 3 Levinski I.A.N. Neorg Mater 1974 V01 10 p1628
7 0 0 1
2280 ‘K - 5.070 ksol
2430 4.285
2610 4.194
2750 2.712
1 I 3 Hansen (1) - 990
7 0 0 5
2330 ‘K - .05 Xmax - 1518 dyne/cm
2484 .10 1486
2565 .15 1472
2830 .20 1419
j - 4 Hansen (1) - 1069
3 0 0 5
2085 ‘R - .05 Xmax - 1568 dyne/cm
2135 .10 1558
2180 .15 1548
2205 .20 1541

verifies

Kornilov Dokl Akaud Nauk SSSR 1963 Vol 150 p313
the phase diagram proposed in Hansen.
information than Hansen in the solid regions.

Rornilov shows more

1400 ‘K -

1470

1670 ‘K -

1870
2030
2170

2270 ‘K -
2465
2640
2740

1380 ‘K -
1470
1670
1870
2070
2270

279

URANIUM

Hansen (1) - 803
O 1 unsure surface tension data

6.66E-3 ksol - .290 Xmax - 1498 dyne/cm
6.91 .333 1485

Hansen (1) - 7??
0 0 unsure surface tension data

.05 Xmax - 1455 dyne/cm

.10 1425
.15 1401
.20 1380

Hansen (3) - 534
O 1

.05 ksol
.10
.15
.20

Hansen (2) - 700
0 0 unsure surface tension data

8.27E-6 Xmax - 1500 dyne/cm

9.49E-6 1485
1.41E-5 1455
1.95E-5 1425
2.90E-5 1395
4.96E-5 1365

“WWW

1920 ‘R -
2000
2120
2250

VANADIUM

Storms High Temp Science 1973 Vol 5 p276
O 0

.145 Xmax - 1980 dyne/cm
.167 Xmax - 1974
.200 1960
.230 1937

Checks with GTE

280

j I 3 Revyakin I.A.N. Metal 1968 p28
7 0 0 0 has Niobium & Tantalum data also

2200 ‘K - 1.72 ksol

HOLFRAM
j I 2 Hansen (3) - 237
2 O O 5 unsure surface tension data

3070 ‘K - .40 Xmax - 2490 dyne/cm
3350 .50 2426

WW“WW*WW***MW*

ZIRCONIUM
j I 2 Hansen (1) - 239
7 0 0 0
2100 ‘K - .050 Xmax - 1553 dyne/cm
2270 .067 1528
2670 .143 1468
3070 .276 1408
j I 3 Levinski Zh Fiz Khim 1974 Vol 48 p845
7 0 0 1
2170 ‘K - 85.7 ksol
2270 73.4
2390 43.6

Data taken from phase diagram given for system pressure
equals one PSIA.

j I 4 Hansen (1) - 709
7 0 0 5 surface tension data guessed from Titanium data

2173 ‘K - .41 Xmax - 1543 dyne/cm
2470 .48 1498
2670 .54 1468

YTTRIUM

281

j I 2 Carlson Trans Metal Soc AIME 1968 Vol 242 p846
3 O O 0
1800 ‘K - .025 Xmax - 1718 dyne/cm
1820 .050 1715
1850 .075 1712
1890 .100 1706
2016 .150 1688
2170 .200 1662
j I 4 Hansen (2) - 707
7 0 0 5 surface tension data guessed from Hafnium data

1720 ‘K - .454 Xmax - 1730 dyne/cm
2220 .500 1655

282

Appendix C Experimental Techniques

This appendix contains a review on the various experimental
techniques encountered during data gathering. This appendix is not
intended as a critique on the experimental techniques. It is intended
as a brief introduction to the experimental techniques most commonly

used.

Hot Volume Method

A popular method of measuring solubility data during the 1920’s
- 1970’s was the Sieverts or hot volume method. The technique is
simple in theory: melt a sample of metal in the presence of a pure gas
and determine gas absorbtion by monitering changes in gas pressure.

The problems of the hot volume method are well reviewed by Gunji
(26). One problem is absorbtion of liquid metal by the crucible and
absorbtion of metal gas by the experimental chamber wall. Another
crucible/chamber material related problem is chemical reaction between
crucible/chamber material and liquid metal, gaseous metal, or any
metal-solute complex. If absorbtion and reaction data are available,
these problems can be minimized.

To equate pressure to molor amounts requires a volume factor, in
this case the volume of the reaction chamber. The volume must be known
at experimental temperatures with the liquid metal in the chamber.

This volume is known as the 'hot volume”. The hot volume is recorded

by pumping known amounts of inert gas into the chamber and recording

283
the pressure. A problem in recording the hot volume is that there are

fixed heat sources in the reaction chamber. This will lead to thermal
gradiants. If the chamber is inefficiently designed there could exists
dead spaces or areas of the chamber which are significantly below the
average temperature of the chamber. Gunji measured the hot volume of
an efficiently designed chamber using Argon and Helium. The hot volume
measured using Argon was 1-22 smaller than the that measured using
Helium. Argon has a larger thermal conductivity. Care should be taken
to avoid dead spots within the reaction chamber and to use an inert gas
of the same relative thermal conductivity as the experimental gas.
Lastly the assumption of insolubility of the inert gas in the liquid
metal should be accounted for if false.

During experimental runs the liquid metal will be free to
vaporize. This will cause an array of problems from reaction between
gaseous metal and solute gas to depletion of the liquid metal. But

time must allowed for the gas absorbtion to achieve equilibrium.

A similar method involves melting of pure metal-solute complex
and measuring the gas evolved. When melted, the sample will dissociate
into a saturated liquid metal-solute solution and liquid metal-solute
complex. An equilibrium will be reached where the pressure of the
solute gas is equal to the dissociation pressure of the metal-solute
complex. At this point if gas is withdrawn from the reaction chamber,
metal-solute complex will dissociate to re-establish equilibrium. When
gas is withdrawn from the chamber and the pressure does not return to
the metal-solute complex dissociation pressure, all complexs have

dissociated into a saturated solution of liquid metal and solute. With

284
knowledge of the amount of gas withdrawn, the hot volume of the

chamber, and the amount of metal-solute complex put in the chamber the

maximum solubility of the solute can be calculated.

Quenching Technique

Quenching involves equilibrating a pure liquid metal sample with
a pure solute gas. The resulting metal-solute solution is rapidly
frozen or quenched. The resulting solid is then analyzed to determine
the solute concentration. The various techniques for analyzing the the
solid solutions will not be reviewed here.

While liquid, the metal can react with the crucible material.

To avoid contamination resulting from reactions of metal or
metal-solute complex with the crucible it is wise to grind off the
outer layer of the solid sample obtained from quenching. The solid
sample should be split and analyzed across its width. This will insure
that time was allowed for the entire sample to reach equilibrium.

A unique problem with the quenching technique is the evolution
of solute from the sample during solidification. Herman (27) states
that quenching is unsatisfactory for Molybdenum-Nitrogen systems.
Herman states the Molybdenum-Nitrogen produce a spongy solid when
quenched. Domke (17) conducted quenching experiments on the

Molybdenu-Nitrogen systems. His results compare favorable with the

285
results of Herman which were generated from a calculation scheme.

Domke quenced in liquid Nitrogen, insuring a rapid solidification.
Herman did report his quenching method.

The quenching technique can be use for measuring the solubility
of Carbon in liquid metals. Melt the metal in a graphite crucible.
Allow time for the graphite to dissolve into the liquid metal.

To avoid quenching and analyzing the entire sample a portion of
the liquid metal-solute solution can withdrawn by a syringe, and
quenced therein. The syringe material is then dissolved away by a
chemical reagent.

Uda (110) found that the solubility of Nitrogen in quenched Iron
was significantly higher for arc melted samples as Opposed to sample
levitated in Nitrogen gas streams. Uda attributed the higher
solubility to an activation of the Nitrogen molecule when exposed to

the welding arc.

Melting Technique

The melting technique involves the melting of a sample. The
sample is made by mixing a known quantity of powdered metal and
powdered metal-solute, then compressing the mixture into a solid
pellet.

The temperature at which the pellet begins to melt and pellet

286
compostion marks a point on the solidus line of the solute-metal phase

diagram. The temperature at which the entire pellet melts and the
pellet composition marks a point on the liquidus line of the
solute-metal phase diagram. A unique advanatage is that this technique
can he ran backwards and forwards repeatidly.

A related technique calls for Optically fixing the line of
liquid-solid interface in a partially melted pellet. The pellet is
then quenched. The two portions are physically seperated and analyzed.
This allows for determination of solidus and liquidus points of the

phase diagram.

Water Vapor Calculation Scheme

The following calculation scheme was found in Tankins (106) and
Jacob (38). If Hydrogen and Oxygen gass are present over a liquid

metal-Oxygen solution the fallowing reactions must be at equilibrium:

1) H1<8> + 9 : 310(8)

2) Elm + 1/2 02(3): nzo<g>

Where '9 refers to the Oxygen dissolved in the liquid metal. The

287
equilibrium constants corresponding to the above reactions:

3) K - ”no 1 I { [PM] [1(0) x(o)l }- K’ / 21(0)

'/2

4) K*-[PH101/{[P 11:0,] 1

“2.

Where P H20 is the partial pressure of water vapor, X(0) , X(O) are
the activity coefficient and concentration the Oxygen dissolved in the
liquid metal.

The equilibrium constant K*- is a well defined quantity. If the
partial pressures of Hydrogen and water vapor and the concentration of
Oxygen dissolved in the liquid metal are known Henry’s law constant can

be calculated:

, l/
5) K henry I K*/ K’ I X(O) / [P 01111

No mention was made of the effect of Hydogen or water vapor

dissolved in the liquid solution.

288

Electromotive Force Technique

A battery is composed of a liquid solution with electrodes at
opposite ends, when the electrodes are connected via a conducting
material 8 electrical circuit is completed. The solution and the
electrodes must be of a certain type. The solution usually contains a
least two ions. One ion transfering electrons to one electrode, the
other ion transfering electrons away from the other electrode. Thus a
current flows. If an external voltage or electromotive force (EMF) is
applied to the battery, the current can be made to run in the opposite
direction, thus ”charging" the battery. The battery principle is the
basic principle used in the EMF techique.

A typical apparatus for electromotive force experiments is shown
in Figure 17. The electrodes are the liquid metal-solute solution and
the Platinum surronding the cell holding the liquid solution. The cell
wall is made of an electrolyte pourous to the solute. At the Platinum
electrode solute in the gas will convert to ionic form. The ion will
migrate across the electrolyte wall to the liquid solution. There the
ion will convert to a non-charged solute species. Thus a circuit is
completed, and of course the circuit can run in reverse.

The solute concentration is assumed uniform in both the liquid
solution and in the gas surronding and within the pourous Platinum
electrode. The solute chemical potential is therefore uniform within
the liquid solution and the gas. Any gradiant in the solute chemical
potential is thus assumed wholey contained within the electrolyte cell

wall.

289

Cw‘f‘efit Source,

ANT—(’9‘!

Hmmetel‘

Voneter‘

I.

i
«Cirgwt

~,__._——.

.7 1

 

 

 

 

ix, 1 fuJo
Sane: j i
}
Elec+r011+e [{ 1
4“: I /C|rcwt
Li 1 one.
' l
. ; 1
1:
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Liquid
Mei‘o}

\W-WAMMM '1»me
' ]25/ 777'; Q’ngif 7,
\ A
\

K m

\
///j //[7[7f//// ./'/.//7// .1” [AZ/Z

MW“ $.7va WOT/[INN

 

 

 

 

 

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7me F\a+1num
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Elecfrochemicar Ce”

290
Experiments are conducted by applying an external EMF to the

experimental cell which will pump electrons into the Platinum
electrode. At the Platinum electrode the gaseous solute (G) undergoes

the following reaction:

6) 1/2 62(3) + ’ne' :3- G“-

Where 7\ is the valence number of the solute. The solute ion (G n-)
diffuses through the cell wall to the liquid solution. There the

following reaction occurs to complete the electrical circuit:

7) GIN-:9 +’71e-

Where .Q is the solute in the liquid solution. By pumping electrons
into the Platinum electrode, solute is pumped into the liquid solution,
Reversing the direction of electron motion pumps solute out of the
liquid solution. The following sections will show how this technique

can be used to measure the activity of the solute in liquid solution.

Activity Measurements

291

The following derivation of mathamatics used to discribe a EMF
cell is based on work found in Rapp (87). Within the cell wall the

following equilibrium equation should hold at all points:

8) 1/2 61+‘ne- ‘3 6’".

Equation 8 generates the equation:

é
‘—

9) 1/2/u62 +'nWe— Won—

Where /“(r; is the chemical potential of the solute within the cell
wall. “2" and W b'fl" are the electrochemical potential of the excess
electrons and of the solute ions within the cell wall.

Electrochemical potential can be expressed:

10) Wi-lui + 211??

Where fii is the chemical potential, 21 is the valanec number, F is
Faradays constant, and ¢is the local electric potential.
The current flow due to ion diffusion (Iion) is given by Wagner

(112):

292

11) Iion - (710:: A / (21?) t (d vé'n-I dx)

Where the term (EVion A) will be shown to be related to current flow

resistance. Equation 11 and 9 can be combined to yeild:

 

altar F
4.77414;- : dX

12) (1/1) GUM} a... H

Integrating equation 12 form X-O to X-l, or from the outer surface of

the cell wall to the inner surface:

II II
13) 1/2l/1C; ‘flal + fllWe' - we'] =
2 lion JZion F-

Note that variables with double prime superscript refer to conditions
at the outer surface of the cell wall while non-prime variables refer
to conditions at the inside surface of the cell wall. Ilion is

expressed:

X: 1
14) flion - (l/A) S dx / aion
X‘0

293

Combining equations 13 and 10:

II ll
15) -’nl,ue- +251“? ‘fle"ze‘F?]'
(1/2) [,q” -/,( ]- 2 Iionflion F
61 51

Where ,ae- is the chemical potential of excess electrons. If we make

the assumption:

16) fled. /’18’

Equatoin 15 reduces to: (Note that Ze- - -1)

I!

17) 70 - (p - (1 / (2nF)) * [Maui-#5] - Iion [lion
2

1'
Where ‘? is electrical potential. Q - ¢ is thus the electromotive
force applied to the experimental cell. Equation 17 can thus be

written:

18) E -E - Iionflion

294
Where iris external EMF applied to the cell and E is the internal EMF,
measurable if a voltmeter were attached to the Platinum electrode and
to the liquid metal solution (circuit 1 of Figure 17). If the applied

EMF is zero it can be seen:
19) .51 ion 8 Rcell

Where Rcell is the resistance of the electrolyte cell wall to ionic

motion. The resistivity should be independent of the solute activity.

The chemical potential of a diatomic susbstance (Gz ) is

defined:

0
20) [162 -/Jél + 2RT 1n a(G)

WhereI/lb: is the chemical potential at a chosen reference state.

a(G) is the activity of the substance relative to the reference state.
If the reference state of the solute at the inner and outer surfaces of
the cell wall are chosen to be the same, equations 17, 18, 19, and 20

combine to yeild:

295

21) 6 - m / (n m In (a(G)”/ a(G)) - Iion Rcell

Chasing the reference state to be pure gaseous solute at one atmosphere

pressure:

I
22) E - (RT / (7717)) In (P2177 a(G)) - Iion Rcell

As stated earlier, when the cell internal EMF equals the applied
EMF, the ionic current goes to zero. Thus at steady state, equation 22

transforms to:

V

7.
23) 6 - (RT/ (mm In (Pzzl 8(6))

The activity of the solute can be calculated from equation 23 when the
applied EMF and the partial pressure of the solute in the gas phase is

known at steady state.

Solubility Measurements

296

When an EMF is applied to the cell, an ionic current will flow
to drive the cell internal EMF to equal the applied EMF. When the
internal EMF equals the applied EMF equilibrium is achieved and the
current falls to zero. The total quantity of electric charge (Qion)

which flows while waiting for steady state is:

T

24) Qion - 3 lion dt - 1F Nb
&

Where T is the time required for the internal and applied EMFs to reach
equilibrium, while N b is the number of solute molecules transferred.
The concentration of the solute in the liquid solution after

current has flowed can be expressed:

25) c2-(c1 M +N6)/(MT +N

-r c.)

Where Cl and CZ are the concentrations of the solute in the liquid
solution before and after current flow. M1. is the total moles of
liquid solution before current flow. If solute concentrations are low,

equation 25 can be expressed:

26) CZ-Cl-Nb/Mu aIQion/(7'IFM|__)

297

Where "i. is the moles of liquid metal solution. This allows the
calculation of the solute concentration after applying an external EMF
to the cell.

As the applied EMF is raised the solute concentration rises in
the liquid solution. When the solute reaches its maximum solubility,
the internal EMF will have reached its maximum value. If the applied
EMF is increased above this maximum internal EMF, the ionic current
will not fall to zero. Solute will continue to be pumped into the
liquid solution where it will produce solute gass or precipitate. Thus
the maximum solubility can be measured by raising the applied EMF until

the current does not fall to zero.

The above discussion hold exactly for an ideal electrochemical
cell. A real cell requires certain corrections. The following review
is based on Otsuka (70).

An ideal electrolyte cell wall should be permeable to solute
ions, should be a non-conductor, and should not release or entrap
solute ions. If the ectrolyte is conductive to electricity, a
conductive current (Ic) must be subtracted from the measured current to
obtain a true ionic current (Iion). The conductive current is
measurable. When the internal EMF reaches equilibrium with the applied
EMF, the current does not fall to zero. This steady state current is

the conductive current. Subtracting the conductive current from the

298
measured current yeilds the true ionic current.

If the electrolyte cell wall releases or entraps solute ions
this must be accounted for. Otsuka measured a true ionic current for
experimental runs designed to pump solute out of a pure liquid metal.
Otsuka concluded that the ionic current generated was a result of
pumping solute ions out of the electrolyte wall. It was assumed that
these solute ions would move from the cell wall into the liquid
solution during a pump in experiments. Thus the quantity of
electricity obtained from the pump out experiments on a pure liquid
metal is subtracted from the measured quantity of electricity flow
(Qion in equaton 26) for normal experimental runs. It was found that

this "false” ionic current is proportional to the applied EMF.

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