四元体系汽液平衡的热力学一致性逐点检验

1 引言 以往用于多元体系汽液平衡的热力学一致性逐点检验的算法大多是有限差分法,对三元体系变成求解10~4～10~6量级的非线性方程组,收敛速度极慢,计算不稳定,难以实际应用。以后不同作者提出不同方法使多元体系热力学一致性逐点检验得到相应的改善。本文将加权残差法的特例——最小二乘法,用于四元体系恒温及恒压的汽液平衡的热力学一致性逐点检验。

POINT -TO - POINT THERMODYNAMIC CONSISTENCY TEST OF VAPOR-LIQUID EQUILIBRIUM FOR QUATERNARY SYSTEM

The least squares method is the simple form of the method of weighted residuals (MWR). The main feature of this method is transforming a boundary problem of partial dif- ferential equation into an equivalent problem of optimization. To illustrate the calculating procedure calculations for two isothermal and two isobaric quaternary systems were made. It showed the advantages of this method in an identical computational form for any dimensional problems and the need for the intrinsic condition only in solving the equation . So the calculation for quaternary system can be easily done on personal computer and takes less calculating time.