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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
【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。
【Abstract】 The vapour-liquid equilibrium of the non-ideal binary liquid mixture,for example,isoprene-hexanenitrile system and chloro-form-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.
【Key words】 non-ideal binary liquid mixture; vapour-liquid equilibrium; activity coefficient; azeotrope state; computer simulation;
- 【文献出处】 计算机与应用化学 ,Computers and Applied Chemistry , 编辑部邮箱 ,2005年11期
- 【分类号】O642.42
- 【被引频次】5
- 【下载频次】339