汽液相平衡计算的非线性联立方程组解法(英文)  

Nolinear simultaneous equation-solving(NSES) method for vapor-liquid equilibrium calculation

作　　者：彭昌荣[1] 刘期凤[1] 刘治国[1] 

机构地区：[1]西华大学物理与化学学院,四川成都610039

出　　处：《计算机与应用化学》2012年第8期1004-1008,共5页Computers and Applied Chemistry

基　　金：Supported by the Key Discipline of Organic Chemistry,Xihua University(JPKC070104)

摘　　要：本文导出了多组分系统汽液相平衡的控制方程并提出了相应的非线性联立方程组解法。使用 MATLAB 优化工具箱及 SRK 状态方程描述混合物中各组分在汽相和液相中的逸度系数,应用非线性联立方程组解法对乙烷,丙烷,正丁烷,正戊烷及正己烷混合物在系统总压力为 1723 KPa,汽相摩尔分数从 0.0 变化到 1.0 时的汽液相平衡进行了计算,结果表明:控制方程的最大绝对偏差小于 1.7×10-8Pa。采用本文提供的初值估计方法,汽液相平衡计算的非线性联立方程组解法在可靠性、稳定性上适用于多组分系统汽液相平衡的计算。The goveming equations and nonlinear simultaneous equation-solvingfNSES） method for vapor-liquid equilibrium（VLE） calculation for multiple components system, in this paper, were presented. By using MATLAB optimization toolbox and Soave-Redlich-Kwang（SRK） equation of state（EOS） to describe liquid phase and vapor phase fugacity coefficients of i th component in the mixture, NSES method for VLE calculation was illustrated with an example which was consisted of ethane, propane, n-butane, n-pentane and n-hexane at system pressure 1723 KPa. The results of this example, in which the fraction of molar of vapor phase with respect to the overall feed, varied from 0.0 to 1.0, showed maximum absolute deviation of the residual of governing equations was less than 1.7× 10^-8 Pa. Using initializing guess policy supplied in this work, the reliability, stability of this algorithm are suitable for multi-component VLE calculation.

关 键 词：非线性联立方程组 汽液相平衡 SRK方程 逸度系数 多组分系统 

分 类 号：TQ015.9[化学工程]