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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 tab
TAB:tab-rea
Reaction:1.5O2<G>+S1ZN1=O2S1<G>+O1ZN1
&
Use one of these databases
KP
PURE
GEO
G35
AQ
PSUB
PION
BIN97
BIN
TER98
SUB94
SSOL
POT
IRSID
ION
CHAT
SLAG
IFACO
COST
FRIB
BISH
MOB2
OIKA
USER

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Kaufman binary alloys database


SGTE pure element database
Saxena geochemical database
Semiconductor III-V binary database
TC public aqueous solution database
TC public pure substance database
TC public ionic database
TC public binary solution database
Binary database
TC public ternary solution database
TC Banco de dados das substancias
TC banco de dados SGTE das substancias
TC banco de dados para diagramas de potenciais
IRSID database
Ionic KTH database
Chatenary post-transitional binarys
Fe slag database
Interstitial Free Steel database
Cost507 version 1999 database
Fridberg Dilute Fe-alloy Database
Bishop Dilute Al-alloy Database
TCAB Alloy Mobility Solution Database
Oikawa Dilute Fe-alloy Database
User defined Database

DATABASE NAME: sub94


THERMODYNAMIC DATABASE module running on PC/WINDOWS NT
Current database: TC Banco de dados das substancias
VA DEFINED
VA DEFINED
REINITIATING GES5 .....
O2
S1ZN1
O2S1 DEFINED
ELEMENTS .....
SPECIES ......
PHASES .......
PARAMETERS ...
List of references for assessed data
O1ZN1<G> T.C.R.A.S Class: 5
O2<G> T.C.R.A.S Class: 1
O2S1<G> JANAF THERMOCHEMICAL TABLES SGTE **
PUBLISHED BY JANAF AT 6/61

O1ZN1

S1ZN1<G> T.C.R.A.S Class: 6


O1ZN1 RWTH-91 SGTE **
MOLWT(G/M): 81.3690
S1ZN1 S.G.T.E. SGTE **
ZINC BLENDE or SPHALERITE
S1ZN1<WURTZITE> T.C.R.A.S Class: 6
The list of references can be obtained in the Gibbs Energy System also
by the command LIST_DATA and option R
-OKPressure /100000/: 101325
Low temperature limit /298.15/:
High temperature limit /2000/:
Step in temperature /100/:
Output file /SCREEN/:
O U T P U T F R O M T H E R M O - C A L C
13. 9.30
9.54.43
Reaction: 1.5O2<G>+S1ZN1=O1ZN1+O2S1<G>
O2<GAS>
S1ZN1 stable as S1ZN1_S
O1ZN1 stable as O1ZN1_S
O2S1<GAS>
******************************************************************************
T
Delta-Cp
Delta-H
Delta-S
Delta-G
(K)
(Joule/K)
(Joule)
(Joule/K)
(Joule)
******************************************************************************
298.15 -9.28669E+00 -4.42077E+05 -7.34598E+01 -4.20175E+05
300.00 -9.16830E+00 -4.42094E+05 -7.35169E+01 -4.20039E+05
400.00 -4.64978E+00 -4.42760E+05 -7.54623E+01 -4.12575E+05
500.00 -2.14919E+00 -4.43089E+05 -7.62074E+01 -4.04985E+05
600.00 -6.15848E-01 -4.43221E+05 -7.64527E+01 -3.97349E+05
700.00 3.10262E-01 -4.43232E+05 -7.64715E+01 -3.89702E+05
800.00 7.79608E-01 -4.43174E+05 -7.63948E+01 -3.82058E+05
900.00 1.14433E+00 -4.43076E+05 -7.62800E+01 -3.74424E+05
1000.00 1.40205E+00 -4.42948E+05 -7.61449E+01 -3.66803E+05
1100.00 1.54258E+00 -4.42800E+05 -7.60039E+01 -3.59195E+05
1200.00 1.60210E+00 -4.42642E+05 -7.58666E+01 -3.51602E+05
1292. ---- S1ZN1 becomes S1ZN1_S2 ,delta-H = 12970.40
1300.00 2.45239E+00 -4.55446E+05 -8.57647E+01 -3.43952E+05
1400.00 2.49834E+00 -4.55198E+05 -8.55810E+01 -3.35384E+05
Temperature range exceeded for S1ZN1
TAB:go poly
POLY version 3.30, Feb 1996
POLY_3:s-i-a n(ZnS)=1 n(O2)=1.5
POLY_3:s-c p=1011325 h=-203000
POLY_3:c-e
Forcing automatic start values
Automatic start values will be set
44 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:
N(S)=1, N(ZN)=1, N(O)=3, P=1011325, H=-203000
DEGREES OF FREEDOM 0
Temperature 3081.17, Pressure 1.011325E+06
Number of moles of components 5.00000E+00, Mass 1.45438E+02
Total Gibbs energy -1.96110E+06, Enthalpy -2.03000E+05, Volume 2.98206E-02
Component

Moles

W-Fraction Activity

Potential

Ref.state

O
S
ZN

3.0000E+00 3.3002E-01 1.4602E-07 -4.0322E+05 SER


1.0000E+00 2.2044E-01 6.8804E-08 -4.2250E+05 SER
1.0000E+00 4.4954E-01 2.6531E-06 -3.2893E+05 SER

GAS#1
Status ENTERED
Driving force 0.0000E+00
Number of moles 3.3283E+00, Mass 7.7418E+01
Mass fractions:
O 4.47251E-01 S 4.14117E-01 ZN 1.38632E-01
Constitution:
O2S1 8.27280E-01 O1ZN1 1.17262E-01 O2
3.32751E-02 S1ZN1 2.21834E-02
O1ZN1_S2#1
Status ENTERED
Driving force 0.0000E+00
Number of moles 1.6717E+00, Mass 6.8020E+01
Mass fractions:
ZN 8.03397E-01 O 1.96603E-01 S 0.00000E+00
POLY_3: