基于MPHC活度系数模型关联烃－水体系液－液平衡

Correlation of liquid liquid phase equilibrium for hydrocarbon water systems based on MPHC activity coefficient model

基于普遍化范德华配分函数理论，应用由局部组成概念导出的方阱流体配位数模型导出了链状分子混合物的配位数模型，并由此建立了一个新的活度系数模型；将其应用于高度非理想体系汽－液平衡活度系数的关联，结果与Ｗｉｌｓｏｎ方程相当，但方程参数随温度变化较小；其于Ｎｅｗｔｏｎ－Ｒａｐｈｓｏｎ－Ｇａｕｓｓ液－液平衡算法，应用新模型对烃－水体系的液－液平衡进行了关联计算。

A new activity coefficient model was established based on the generalized van der Waals partition function and the coordination number model for mixtures with chainlike molecules.When applied to correlate the VLE data of highly nonideal systems,comparable results were obtained with wilson model.but the parameter values are less sensitive to temperature.In addition,the new activity coefficient model is also applicable to liquid liquid equilibrium(LLE) system,the test results on the LLE calculation for hydrocarbon water systems indicate that better results were obtained as compared with NRTL model.