MACRO PARA PROPIEDADES TERMODINAMICAS DE UN SISTEMA UNITARIO

Thermo-Calc version P on WinNT

Copyright (1993,2000) Foundation for Computational Thermodynamics,
Stockholm, Sweden
Double precision version linked at Tue Apr 8 09:50:41

SYS:go d
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
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:
TDB_SSOL:d-sys
SPECIES:fe
FE DEFINED
TDB_SSOL:get
REINITIATING GES5 .....
ELEMENTS .....
SPECIES ......
PHASES .......
PARAMETERS ...
FUNCTIONS ....

List of references for assessed data 4

'Alan Dinsdale, SGTE Data for Pure Elements,

Calphad Vol 15(1991) p 317-425,
also in NPL Report DMA(A)195 Rev. August 1990'
'H. Du and M. Hillert, revision; C-Fe-N'
'Alan Dinsdale, SGTE Data for Pure Elements, NPL Report DMA(A)195
September 1989'

The list of references can be obtained in the Gibbs Energy System also
by the command LIST_DATA and option R

-OK-
TDB_SSOL:go p-3

POLY version 3.32, Aug 2001

POLY_3:s-c t=300 p=101325 n=1
POLY_3:c-e
Automatic start values will be set
15 ITS, CPU TIME USED 0 SECONDS
POLY_3:l-e
OUTPUT TO SCREEN OR FILE /SCREEN/:
Options /VWCS/:
Output from POLY-3, equilibrium = 1, label A0 , database: SSOL

Conditions:
T=300, P=101325, N=1
DEGREES OF FREEDOM 0

Temperature 300.00, Pressure 1.013250E+05

Number of moles of components 1.00000E+00, Mass 5.58470E+01
Total Gibbs energy -8.18336E+03, Enthalpy 4.66878E+01, Volume 7.10115E-06

Component Moles W-Fraction Activity Potential Ref.stat

FE 1.0000E+00 1.0000E+00 3.7600E-02 -8.1834E+03 SER

BCC_A2 Status ENTERED Driving force 0.0000E+00

Number of moles 1.0000E+00, Mass 5.5847E+01 Mass fractions:
FE 1.00000E+00
POLY_3:s-a-v
Axis number: /1/:
Condition /NONE/: t
Min value /0/: 300
Max value /1/: 2000
Increment /42.5/:
POLY_3:step
Option? /NORMAL/:
No initial equilibrium, trying to add one 0
Phase Region from 3.000000E+02 for:
BCC_A2

Phase Region from 1.184805E+03 for:

BCC_A2
FCC_A1
Calculated 23 equilibria

Phase Region from 1.184805E+03 for:

FCC_A1

Phase Region from 1.667477E+03 for:

BCC_A2
FCC_A1
Calculated 15 equilibria

Phase Region from 1.667477E+03 for:

BCC_A2

Phase Region from 1.810958E+03 for:

LIQUID
BCC_A2
Calculated 6 equilibria

Phase Region from 1.810958E+03 for:

LIQUID
Calculated 8 equilibria
*** Buffer saved on file: RESULT.POLY3
POLY_3:post

POLY-3 POSTPROCESSOR VERSION 3.2 , last update 2002-01-01

Setting automatic diagram axis

POST:s-d-a
AXIS (X, Y OR Z) :x
VARIABLE :t-k
POST:ent tab
Name:g1
Variable(s):gm(bcc) gm(fcc) gm(liq) gm(hcp)
&
POST:s-d-a
AXIS (X, Y OR Z) :y
VARIABLE :g1
COLUMN NUMBER /*/:
POST:plot
OUTPUT TO SCREEN OR FILE /SCREEN/:
POST:s-l-c-o
CURVE LABEL OPTION (A, B, C, D, E, F OR N) /A/: f
POST:pl
OUTPUT TO SCREEN OR FILE /SCREEN/:
POST:

THERMO-CALC (2010.07.24:05.57) :
DATABASE:SSOL
P=101325, N=1;
2
1:T, GM(BCC_A2),
2:T, GM(FCC_A1),
3:T, GM(LIQUID),
0 4:T, GM(HCP_A3),

-2 3
12
4

2010-07-24 05:57:21.92 output by user linda from

-4
TABLE G1

3
4
2
1
-6

1
234
-8
4
3
2
1
-10 1 4
22
1
3
1
-12 2
4
10
-14
200 400 600 800 1000 1200 1400 1600 1800 2000
TEMPERATURE_KELVIN

MACRO PARA PROPIEDADES TERMODINAMICAS DE UN SISTEMA BINARIO

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
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-sys
SPECIES:Fe Cu
FE CU DEFINED
TDB_SSOL:rej ph *
LIQUID:L FCC_A1 BCC_A2
HCP_A3 CBCC_A12 CUB_A13
FE4N CUZN_EPS ALCU_EPSILON
ALCU_ETA REJECTED
TDB_SSOL:rest ph fcc bcc liq hcp
FCC_A1 BCC_A2 LIQUID:L
HCP_A3 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'
'A. Jansson, Report D 73, Metallografi, KTH, (1986); CU-FE'
'Unassessed parameter, inserted to make this phase less stable.'
'Alan Dinsdale, SGTE Data for Pure Elements, NPL Report DMA(A)195
September 1989'

The list of references can be obtained in the Gibbs Energy System also
by the command LIST_DATA and option R

-OK-
TDB_SSOL:go p-3

POLY version 3.30, Feb 1996

POLY_3:s-c t=1000 p=101325 n=1 w(cu)=0.01
POLY_3:c-e
Forcing automatic start values
Automatic start values will be set
30 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=1000, P=101325, N=1, W(CU)=1E-2
DEGREES OF FREEDOM 0

Temperature 1000.00, Pressure 1.013250E+05

Number of moles of components 1.00000E+00, Mass 5.59147E+01
Total Gibbs energy -4.23585E+04, Enthalpy 2.52349E+04, Volume 7.24201E-06

Component Moles W-Fraction Activity Potential Ref.state

CU 8.7991E-03 1.0000E-02 4.8663E-03 -4.4278E+04 SER

FE 9.9120E-01 9.9000E-01 6.1428E-03 -4.2341E+04 SER

BCC_A2#1 Status ENTERED Driving force 0.0000E+00

Number of moles 1.0000E+00, Mass 5.5915E+01 Mass fractions:
FE 9.90000E-01 CU 1.00000E-02
POLY_3:s-a-v
Axis number: /1/:
Condition /NONE/: w(cu)
Min value /0/:
Max value /1/:
Increment /.025/:
POLY_3:step
Option? /NORMAL/: sep
NO INITIAL EQUILIBRIUM, TRYING TO ADD ONE 0

Phase Region for:

LIQUID
BCC_A2
FCC_A1
HCP_A3
3 1.000E-02
2 1.000E-02
3 3.500E-02
3 6.000E-02
3 8.500E-02
 3 1.100E-01
3 1.350E-01
3 1.600E-01
3 1.850E-01
3 2.100E-01
3 2.350E-01
3 2.600E-01
3 2.850E-01
3 3.100E-01
3 3.350E-01
3 3.600E-01
3 3.850E-01
3 4.100E-01
3 4.350E-01
3 4.600E-01
3 4.850E-01
3 5.100E-01
3 5.350E-01
3 5.600E-01
3 5.850E-01
3 6.100E-01
3 6.350E-01
3 6.600E-01
3 6.850E-01
3 7.100E-01
3 7.350E-01
3 7.600E-01
3 7.850E-01
3 8.100E-01
3 8.350E-01
3 8.600E-01
3 8.850E-01
3 9.100E-01
3 9.350E-01
3 9.600E-01
3 9.850E-01
4 1.000E+00

Phase Region for:

LIQUID
BCC_A2
FCC_A1
HCP_A3
3 1.000E-02
2 1.000E-02
3 2.500E-07
*** Buffer saved on file ***
POLY_3:post

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

POST:s-d-a
AXIS (X, Y OR Z) :y
VARIABLE :gm(*)
COLUMN NUMBER /*/:
POST:s-d-a
AXIS (X, Y OR Z) :x
VARIABLE :x(Cu)
Warning: maybe you should use MOLE_FRACTION CU instead of X(CU)
POST:plot
PLOTFILE : /SCREEN/:
POST:s-l-c-o
CURVE LABEL OPTION (A, B, C, D OR N) /A/: f
THE OPTIONS MEANS:
A LIST STABLE PHASES ALONG LINE
B AS A BUT CURVES WITH SAME FIX PHASE HAVE SAME NUMBER
C LIST AXIS QUANTITIES
D AS C BUT CURVES WITH SAME QUANTITIES HAVE SAME NUMBER
N NO LABELS
CURVE LABEL OPTION (A, B, C, D OR N) /A/: d
POST:plot
PLOTFILE : /SCREEN/:
POST: