A Dynamic Method for Computing Thermodynamic Equilibria in Process Simulation

被引：0
|
作者：
Zinser, Alexander [1 ,2 ]
Ye, Kongmeng [1 ]
Rihko-Struckmann, Liisa [1 ]
Sundmacher, Kai [1 ,2 ]
机构：
[1] Max Planck Inst Dynam Complex Tech Syst, D-39106 Magdeburg, Germany
[2] Otto Von Guericke Univ, Proc Syst Engn, D-39106 Magdeburg, Germany
来源：
12TH INTERNATIONAL SYMPOSIUM ON PROCESS SYSTEMS ENGINEERING (PSE) AND 25TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING (ESCAPE), PT A | 2015年 / 37卷
关键词：
Process Simulation; Chemical Equilibria; Phase Equilibria; EQUATION-OF-STATE; PSRK; CONSTANTS;
D O I：
暂无
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
A generalized approach for the calculation of complex chemical and phase equilibria is presented which is based on the simulation of the dynamic evolution of a mixture from arbitrary nonequilibrium initial composition towards the final equilibrium composition. The proposed method is able to deal with pure chemical or pure phase equilibria as well as with simultaneous chemical/phase equilibria. The unique advantage of our approach, compared to conventional equilibrium calculations, is the fact that the simulation algorithm always converges towards the thermodynamic equilibrium state regardless which initial composition is chosen.
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页码：299 / 304
页数：6
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