MACRO PARA UNA ISOTERMA DE UN DIAGRAMA TERNARIO

THERMO CALC version M for PC / Windows NT

Copyright (1993,1995) Foundation for Computational Thermodynamics,

Stockholm, Sweden

Double precision version linked at 08-17-98 16:31:34

For use at: Pontificia Universidade Catolica

By only: Fernando Rizzo, Roberto R. de Avillez

SYS: go d
THERMODYNAMIC DATABASE module running on PC/WINDOWS NT

Current database: Kaufman binary alloys database

TDB_KP: sw-d

Use one of these databases

KP = Kaufman binary alloys database

PURE = SGTE pure element database

GEO = Saxena geochemical database

G35 = Semiconductor III-V binary database

AQ = TC public aqueous solution database

PSUB = TC public pure substance database

PION = TC public ionic database

BIN97 = TC public binary solution database

BIN = Binary database

TER98 = TC public ternary solution database

SUB94 = TC Banco de dados das substancias

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SSOL = TC banco de dados SGTE das substancias

POT = TC banco de dados para diagramas de potenciais

IRSID = IRSID database

ION = Ionic KTH database

CHAT = Chatenary post-transitional binarys

SLAG = Fe slag database

IFACO = Interstitial Free Steel database

COST = Cost507 version 1999 database

FRIB = Fridberg Dilute Fe-alloy Database

BISH = Bishop Dilute Al-alloy Database

MOB2 = TCAB Alloy Mobility Solution Database

OIKA = Oikawa Dilute Fe-alloy Database

USER = User defined Database

DATABASE NAME /KP/: ssol

Current database: TC banco de dados SGTE das substancias

VA DEFINED

B2_BCC L12_FCC AL5FE4:

GAS:G REJECTED

TDB_SSOL: d-e

ELEMENTS: Fe Cr Ni
FE CR NI

DEFINED

TDB_SSOL: rej ph *
LIQUID:L FCC_A1 BCC_A2

HCP_A3 CBCC_A12 CUB_A13

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SIGMA CHI_A12 FE4N

AL3NI2 ALNI_B2 CR3SI

CRSI2 REJECTED

TDB_SSOL: res ph fcc bcc liq sigma

FCC_A1 BCC_A2 LIQUID:L

SIGMA RESTORED

TDB_SSOL: get

REINITIATING GES5 .....

ELEMENTS .....

SPECIES ......

PHASES .......

PARAMETERS ...

List of references for assessed data

'Alan Dinsdale, SGTE Data for Pure Elements,

Calphad Vol 15(1991) p 317-425,

also in NPL Report DMA(A)195 Rev. August 1990'

'Alan Dinsdale, SGTE Data for Pure Elements, NPL Report DMA(A)195

September 1989'

'J-O Andersson, B. Sundman, CALPHAD Vol 11, (1987), p 83-92

TRITA 0270 (1986); CR-FE'

'Byeong-Joo Lee, unpublished revision (1991); C-Cr-Fe-Ni'

'Unassessed parameter, linear combination of unary data. (MU, SIGMA)'

'P. Gustafson, Calphad Vol 11 (1987) p 277-292,

TRITA-MAC 320 (1986); CR-NI-W '

'A. Dinsdale, T. Chart, MTDS NPL, unpublished work (1986); FE-NI'

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 'A. Dinsdale, T. Chart, MTDS NPL, Unpublished work (1986); CR-NI'

The list of references can be obtained in the Gibbs Energy System also

by the command LIST_DATA and option R

BINARY L0 PARAMETERS ARE MISSING

CHECK THE FILE MISSING.PAR FOR COMPLETE INFO

-OK-

TDB_SSOL: go p-3

POLY version 3.30, Feb 1996

POLY_3: s-c t=923 p=101325 n=1 w(Cr)=0.1 w(Ni)=0.2

POLY_3: c-e

Forcing automatic start values

Automatic start values will be set

46 ITS, CPU TIME USED 0 SECONDS

POLY_3:l-e

Output file: /SCREEN/:

Options /VWCS/:

Output from POLY-3, equilibrium number = 1, label A0

Conditions:

T=923, P=101325, N=1, W(CR)=1E-1, W(NI)=2E-1

DEGREES OF FREEDOM 0

Temperature 923.00, Pressure 1.013250E+05

Number of moles of components 1.00000E+00, Mass 5.59747E+01

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Total Gibbs energy -4.26682E+04, Enthalpy 2.47585E+04, Volume 5.81258E-06

Component Moles W-Fraction Activity Potential Ref.state

CR 1.0765E-01 1.0000E-01 5.8785E-03 -3.9419E+04 SER

FE 7.0160E-01 7.0000E-01 6.1196E-03 -3.9110E+04 SER

NI 1.9075E-01 2.0000E-01 5.5079E-04 -5.7589E+04 SER

FCC_A1#1 Status ENTERED Driving force 0.0000E+00

Number of moles 1.0000E+00, Mass 5.5975E+01 Mass fractions:

FE 7.00000E-01 NI 2.00000E-01 CR 1.00000E-01

POLY_3: s-a-v

Axis number: /1/:

Condition /NONE/: w(Cr)

Min value /0/:

Max value /1/:

Increment /.025/:

POLY_3:s-a-v

Axis number: /2/:

Condition /NONE/: w(Ni)

Min value /0/:

Max value /1/:

Increment /.025/:

POLY_3: map

Organizing start points

5
No initial equilibrium added, trying to fix one

Organizing start points

Phase region boundary for:

FCC_A1

** SIGMA

Iterations, Values

4 1.736E-01 2.000E-01

4 1.722E-01 1.894E-01

4 1.700E-01 1.717E-01

4 1.680E-01 1.540E-01

4 1.661E-01 1.362E-01

4 1.644E-01 1.185E-01

3 1.636E-01 1.102E-01

*** Buffer saved on file:

RESULT.PL3

POLY_3: post

POLY-3 POSTPROCESSOR VERSION 3.2 , last update 1996-12-12

Setting automatic diagram axis

POST: s-d-a

AXIS (X, Y OR Z) : x

VARIABLE : w-f

FOR COMPONENT : Ni

POST: s-d-a

AXIS (X, Y OR Z) : y

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VARIABLE : w-f

FOR COMPONENT : Cr

POST: s-d-ty

TRIANGULAR DIAGRAM (Y OR N) /N/: y

PLOT 3:RD AXIS (Y OR N) /Y/: y

CLIP ALONG 3:RD AXIS (Y OR N) /Y/: n

POST: plot

PLOTFILE : /SCREEN/:

POST: