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 paramete...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.展开更多
基金Supported by the National Natural Science Foundation of China(20490200 20525622) the National Basic Research Program of China(2007CB714302)
文摘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.