Some guidelines for thermodynamic optimisation of phase diagrams

被引:87
作者
Kumar, KCH [1 ]
Wollants, P [1 ]
机构
[1] Katholieke Univ Leuven, Dept MTM, B-3001 Heverlee, Belgium
关键词
calphad; modelling; optimisation; phase diagram; thermodynamics;
D O I
10.1016/S0925-8388(00)01491-2
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 [物理化学]; 081704 [应用化学];
摘要
Thermodynamic optimisation of phase diagrams is a procedure that requires considerable experience and skill. The purpose of this article is to furnish certain guidelines that might facilitate the work and improve the quality of the thermodynamic optimisation of phase diagrams using the Calphad method. Some particulars regarding experimental data, Gibbs energy models, constraints on model parameters, and performing the optimisation are discussed. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:189 / 198
页数:10
相关论文
共 28 条
[1]
A COMPOUND-ENERGY MODEL OF ORDERING IN A PHASE WITH SITES OF DIFFERENT COORDINATION NUMBERS [J].
ANDERSSON, JO ;
GUILLERMET, AF ;
HILLERT, M ;
JANSSON, B ;
SUNDMAN, B .
ACTA METALLURGICA, 1986, 34 (03) :437-445
[2]
Ansara I, 1997, CALPHAD, V21, P171
[3]
Applications of Computational Thermodynamics: Group 2: Models for composition dependence [J].
Ansara, I ;
Burton, B ;
Chen, Q ;
Hillert, M ;
Guillermet, AF ;
Fries, SG ;
Lukas, HL ;
Seifert, HJ ;
Oates, WA .
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2000, 24 (01) :19-40
[4]
ANSARA I, 1994, APPL THERMODYNAMICS
[5]
Bellen P, 1996, Z METALLKD, V87, P972
[6]
COMPUTER COUPLING OF THERMODYNAMICS AND PHASE-DIAGRAMS - THE GADOLINIUM MAGNESIUM SYSTEM AS AN EXAMPLE [J].
CACCIAMANI, G ;
SACCONE, A ;
BORZONE, G ;
DELFINO, S ;
FERRO, R .
THERMOCHIMICA ACTA, 1992, 199 :17-24
[7]
de Boer F. R., 1988, COHESION METALS TRAN
[8]
CHEMSAGE - A COMPUTER-PROGRAM FOR THE CALCULATION OF COMPLEX CHEMICAL-EQUILIBRIA [J].
ERIKSSON, G ;
HACK, K .
METALLURGICAL TRANSACTIONS B-PROCESS METALLURGY, 1990, 21 (06) :1013-1023
[9]
REGULAR SOLUTION MODEL FOR STOICHIOMETRIC PHASES AND IONIC MELTS [J].
HILLERT, M ;
STAFFANSSON, LI .
ACTA CHEMICA SCANDINAVICA, 1970, 24 (10) :3618-+
[10]
Jonsson S, 1996, Z METALLKD, V87, P784