用兰纳-琼斯位能和单参数Wilson方程预测汽液平衡

PREDICTION OT VAPOR-LIQUID EQUILIBRIA BY LENNARD-JONES POTENTIAl ENERGY AND SINGLEPARAMETER WILSON EQUATION

根据兰纳-琼斯位能提出计算Wilson方程中同类分子间能量参数gii的一个简便方法,用于单参数Wilson方程可成功地预测二元体系气液平衡,预测精度与已有方法相当,且仅需要纯物质的Tc,Pc,Zc数据。

A simplified method for calculating the like-pair interactions gu of Wilson equation was presented based on Lennard-Jones potential energy(E_p). With single-parameter Wilson equation, it can be used succesfully to predict the VLE of binary systems. The advantage of the method lies in its simplicity and only the data of T_c, P_c, and Z_c are needed.