平行切线法用于汽液平衡的计算

Calculation of Vapor- Liquid Equilibrium by Using Parallel Tangent Method

本文将最优化技术用于热力学汽液平衡数据关联,用平行切线法(Partan法)回归UNIQUAC方程配偶参数,放宽了对初值要求较严格的限制,无须人为给定配偶参数初值,而又能保证得到最优参数的有效方法。Partan法是一种对最速下降法的加速算法。对于正定的二次目标函数。Partan法构造的搜索方向是共轭的,它等价于共轭方向方法,具有超线性收敛速度。我们用Partan法在微机上回归UNIQUAC方程的二元参数,从文献中选出酯,醇,醚,胺,水,苯及其衍生物等25个不同类型的体系进行计算,γ~∞在0.07～25万之间。计算结果是满意的。

A numerical method, Partan (parallel tangent) method, is applied to vapor-liquid equilibrium calculation in this study. It gives a convenient and reliable routine to find the best UNIQUAC parameters.Twenty-five systems, including alcohol, ketone, ester, ether, water, benzene and its derivatives, and so on , were used for testing the method. The results indicated that this method is fairly good in reliability, convergency and accuracy for correlating experimental VLE data.