COSMO结合状态方程预测汽液平衡及可视化  

Prediction and Visualization of Vapor-liquid Equilibria Based on COSMO Model and State Equation

作　　者：吴选军[1] 余永富[2] 袁继祖[2] 

机构地区：[1]武汉理工大学化学工程学院,湖北武汉430070 [2]武汉理工大学资源与环境工程学院,湖北武汉430070

出　　处：《武汉理工大学学报（信息与管理工程版）》2011年第3期354-358,共5页Journal of Wuhan University of Technology：Information & Management Engineering

基　　金：武汉理工大学创新杯科研基金资助项目

摘　　要：采用LIN等提出的COSMO-SAC活度系数模型结合立方型状态方程(SRK或PR)预测二元体系的汽液平衡,为提高程序的计算效率和便捷性,讨论了在Windows系统环境下通过动态链接库(DLL)技术,实现Fortran与Visual Basic混合语言编程的方法,并建立了具有可视化操作界面的相关汽液平衡预测模型的应用程序;利用相关模型对苯(1)-正庚烷(2)等二元体系的泡点压力和汽相组成进行预测,结果表明,部分模型预测结果接近于实验数据,其中以SRK-WS-COSMO模型的预测精度较理想。Vapor-liquid equilibrium data of some binary systems were predicted by cubic equation of state（EOS,SRK or PR） combined with conductor-like screening model-segment activity coefficient which had been put forward by Lin et al.In order to raise the calculation efficiency and convenience of these models,the methods of FORTRAN and Visual Basic mixed language programming by dynamic link library（DLL） technique at Windows operating system were discussed.Through this technique,an applied program with visual operating interface was built up to predict vapor-liquid equilibria by the above-mentioned models.The bubble pressure and vapor phase composition in some binary systems such as benzene（1）-heptane（2） were predicted with these models.The results are partial approached to the experimental data cited in the reference.Among these models,the predicting accuracy of the SRK-WS-COSMO model is most ideal one.

关 键 词：COSMO-SAC 立方型状态方程 汽液平衡 混合语言编程 动态链接库 可视化 

分 类 号：TQ013.1[化学工程]