微扰理论在气液平衡计算中的应用——非极性+非极性体系

APPLICATION OF THE PERTURBATION THEORY TO THE CALCULATION OF VAPOR-LIQUID EQUILIBRIUM FOR NONPOLAR SYSTEMS

本文应用WCA微扰理论分别计算了由苯、环已烷、甲苯、四氯化碳及二硫化碳构成的二元系的等温气液平衡.我们采用纯组分的蒸气压和密度数据拟合了LJ参数.计算结果表明:总压与实验相吻合,分压明显优于由三参数的 Margules公式关联结果.

The vapor-liquid equilibrium of nonpolar binary systems,composed of benzen,cyclohexane,toluene, carbon tetrachloride,carbon sulfide is calculated by perturbation theory at constant temperature.The parameters of LJ are correlated from the pressure and density of the pure components by introducing the correction parameter α(?)for the crossing energy.The results from perturbation theory correspond to the experiment value well,and are superior to the correlation results from Margules formula for partial pres- sure.