基于扰动硬链理论的活度系数模型

AN ACTIVITY COERRICIENT MODEL BASED ON PERTURBED HARD-CHAIN THEORY

提出了一个新的活度系数模型．该模型与立方扰动硬链方程及其混合规则有相同的统计力学基础和纯物质参数，对各类极性溶液的汽菠平衡活度系数可取得与Ｗｉｌｓｏｎ方程相当的关联效果．将其应用于烃－水体系液－液平衡的计算，结果略优于ＮＲＴＬ方程．新模型的主要特点在于它包括了几个纯物质参数，其二元参数随温度的变化很小，从而具有更强的预测性．

A new activity coefficient model was established with the same statisticalthermodynamics basis and pure substance parameters to cubic perturbed hard-chain equationof state. When the model was applied to correlate the VLE activity data of highly nonidealsystems,comparable results were obtained with Wilson model.In addition,the new model isalso applicable to liquid-liquid equilibrium(LLE)systems。The test results on the LLE calcu-lation for hydrocarbon-water systems indicated that better results were obtained as comparedwith NRTL model.The the new model is composed with multi-parameters of pure substanceand the binary parameters values are less sensitive to temperature,So that it is promising forbetter predictability.