预测三元系超额焓的一种新方法

A New Approach for Predicting Excess Enthalpies of Ternary Mixtures

提出一种预测三元系超额焓的新方法．该方法利用改进的立方状态方程──FRKS方程，并以二元互作用参数函数代替单一数值的二元互作用参数，为计算体系提供随状态变化的二元互作用参数数值，对十二个非理想三元系及其组分二元系的计算结果表明，该方法明显提高了二元系超额焓的拟合精度，从而在不引入任何三元参数的条件下较好地改进了三元系超额焓的预测．

A new approach has been developed for predicting excess enthalpies of multicomponent mixtures. In this approach, the F-function-modificd cubic equation of state-FRKS was used,and the binary interaction parameter function, instead of single value of binary interaction parameter, was applied to provide state-dependent L12 values for every point calculated. The results of the excess enthalpies calculated for twelve representative ternaries and their constituent binaries show that this simple rncthod correlates accurately the binary excess enthalpies, and consequently,the improved prediction of ternary excess enthalpies are obtained without introducing any ternary parameter.