Phase Equilibrium Calculations in Mixtures Containing Caprolactam with a UNIFAC Model  

作　　者：龚行楚 吕阳成 骆广生 

机构地区：[1]The State Key Laboratory of Chemical Engineering, Department of Chemical Engineering, Tsinghua University,Beijing 100084, China

出　　处：《Chinese Journal of Chemical Engineering》2010年第2期286-291,共6页中国化学工程学报（英文版）

基　　金：Supported by the National Natural Science Foundation of China（20490200 20525622）; the National Basic Research Program of China（2007CB714302）

摘　　要：An extended liquid-liquid equilibrium(LLE) UNIFAC model is proposed to describe phase equilibria of mixtures containing caprolactam.In this model,caprolactam is introduced as a new group.New group interaction parameters are calibrated from 156 sets of liquid-liquid equilibrium data.The present model gives satisfactory correlation and prediction in liquid-liquid equilibrium,including quaternary systems containing the mixed solvent of an alcohol and an alkane.The model can be applied to predict caprolactam solubility in water and benzene accurately.Freezing point and vapor-liquid equilibrium of binary systems containing caprolactam are also predicted with the extended LLE UNIFAC model.Satisfactory prediction results are obtained.An extended liquid-liquid equilibrium（LLE） UNIFAC model is proposed to describe phase equilibria of mixtures containing caprolactam.In this model,caprolactam is introduced as a new group.New group interaction parameters are calibrated from 156 sets of liquid-liquid equilibrium data.The present model gives satisfactory correlation and prediction in liquid-liquid equilibrium,including quaternary systems containing the mixed solvent of an alcohol and an alkane.The model can be applied to predict caprolactam solubility in water and benzene accurately.Freezing point and vapor-liquid equilibrium of binary systems containing caprolactam are also predicted with the extended LLE UNIFAC model.Satisfactory prediction results are obtained.

关 键 词：CAPROLACTAM UNIFAC model liquid-liquid equilibrium solid-liquid equilibrium vapor-liquid equilibrium 

分 类 号：O642.42[理学—物理化学] TQ225.261[理学—化学]