非理想二组元液态混合物气-液相平衡计算及过程的计算机模拟  

The computation and computer simulation for the vapour-liquid equilibrium of the non-ideal binary liquid mixture

作　　者：鄢红[1] 吕志[1] 张常群[1] 

机构地区：[1]北京化工大学理学院,北京100029

出　　处：《计算机与应用化学》2005年第11期989-994,共6页Computers and Applied Chemistry

基　　金：世行贷款"21世纪初高等教育教学改革"资助项目普通高等教育国家十五规划教材立项项目国家高等教育百门精品教材建设立项项目

摘　　要：利用二组元液态混合物中各组分活度系数计算的Var-Larr和Margules模型,以异戊二烯-己腈和氯仿-乙醇系统为例,计算了三种不同温度和三种不同压力下二组元非理想液态混合物的气-液相平衡;同时对恒沸状态的温度、压力及组成等参数亦进行了相关计算。本文利用VC++语言强大的计算能力,编写了上述相关计算程序,实现了上述系统压力-组成图和沸点-组成图的计算及相图绘制的计算机模拟。通过对非理想液态混合物气-液相图的半经验计算,为化学工程中物质的分离、提纯提供了计算相图依据,也为高校工科相关课程的教学提供了生动的图像和动画演示。The vapour-liquid equilibrium of the non-ideal binary liquid mixture, for example, isoprene-hexanenitrile system and chloroform-ethanol system, were calculated under three different temperature and pressure, by Var-Larr model and Margules model, which calculate the components＇activity coefficients. In addition, the parameters under the azeotropic state such as temperature, pressure and composition were calculated. The pressure-composition and temperature-composition diagrams of the above system were simulated by VC＋＋ computer programs. Through the semi-experiential computation of the vapour-liquid equilibrium phase diagram of the non-ideal binary liquid system, the phase diagram computational rules of substance＇s separation and purification were provided for chemical engineering, and the vivid pictures and animations were provided for the teaching of the concerned courses in universities.

关 键 词：非理想液态混合物 气液相平衡 活度系数 恒沸状态 计算机模拟 

分 类 号：O642.42[理学—物理化学]