有色金属科学与工程2017，Vol.8Issue(3)：7-15,9.DOI:10.13264/j.cnki.ysjskx.2017.03.002
基于原子-分子理论的二元合金熔体热力学计算
Thermodynamic calculating of binary alloy melts based on atom-molecule theory
摘要
Abstract
The activities in Bi-Pb,Bi-Sn,Cd-Pb,Pb-Sn binary alloy system were calculated by Miedema model,molecular interaction volume model (MIVM),non-random two-liquid (NRTL) equation and thermodynamic modeling software FactSage respectively,and compared with measured value.The experimental results show that the Miedema model,MIVM model,NRTL model,Wilson model are not applicable to the above-mentioned four binary alloy system.But the measured activities has good corresponding with the calculated activities by thermodynamic modeling software FactSage,and the activities are calculated by using FactSage at different temperature.Meanwhile,a thermodynamic model for calculating the mass action concentration of structural units in Bi-Pb binary alloy system based on the atom-molecule coexistence theory has been developed,and the expression of standard Gibbs free energy change of reaction for forming intermetallic molecules as BiPb was put forward.关键词
二元合金/FactSage/原子-分子理论/热力学/活度Key words
binary alloy/FactSage/atom-molecule theory/thermodynamics/activity分类
矿业与冶金引用本文复制引用
段生朝,郭汉杰,郭靖,鲁浩,石骁,杨文晟,刘帅,于梦曦..基于原子-分子理论的二元合金熔体热力学计算[J].有色金属科学与工程,2017,8(3):7-15,9.基金项目
国家自然科学基金重点资助项目(U1560203) （U1560203）
国家自然科学基金资助项目(51274031) （51274031）
