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多相多组份化学平衡模拟的研究(自由能最小法)
引用本文:王武谦,方晨昭.多相多组份化学平衡模拟的研究(自由能最小法)[J].计算机与应用化学,1990,7(4):259-267.
作者姓名:王武谦  方晨昭
作者单位:青岛化工学院,青岛化工学院,青岛化工学院 南京化学工业公司设计院
摘    要:系统地评述了以自由能最小法为基础的多相多组份化学平衡及相平衡模拟的投影类计算方法,分析了各种算法的特点,提出了改进的算法。对12个理想和非理想物系的计算表明,改进措施效果明显。

关 键 词:化学平衡  相平衡  吉布斯自由能

Study on the Equilibrium Simulation of Multicomponent and Multiphase System(Minimizating Gibbs Free Energy)
Wang Wuqian Fang Chenzhao Han Fangyu.Study on the Equilibrium Simulation of Multicomponent and Multiphase System(Minimizating Gibbs Free Energy)[J].Computers and Applied Chemistry,1990,7(4):259-267.
Authors:Wang Wuqian Fang Chenzhao Han Fangyu
Affiliation:Qingdao Institute of Chemical Technology
Abstract:Projection algorithms of the simulation of both chemistry and phase equilibria ofmulticomponent and multiphase system,which based upon the principle of MinimizingGibbs Free Energy were systematically revewed and analysed.Several improved algorithmswere generated to overcome the defects existing in original algorithms.The results of testingon 12 examples,including ideal and non-ideal systems,showed that the effect of theimproved algorithms is obvious.
Keywords:Chemistry equilibrium  Phase equilibrium  Gibbs Free Energy  Optimisation  Projection method
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