Phase Equilibrium Calculations in Mixtures Containing Caprolactam with a UNIFAC Model

Abstract

Abstract: 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.

Key words: caprolactam, UNIFAC model, liquid-liquid equilibrium, solid-liquid equilibrium, vapor-liquid equilibrium

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.

关键词: caprolactam, UNIFAC model, liquid-liquid equilibrium, solid-liquid equilibrium, vapor-liquid equilibrium

GONG Xingchu, LÜ Yangcheng, LUO Guangsheng. Phase Equilibrium Calculations in Mixtures Containing Caprolactam with a UNIFAC Model[J]. , 2010, 18(2): 286-291.

龚行楚, 吕阳成, 骆广生. Phase Equilibrium Calculations in Mixtures Containing Caprolactam with a UNIFAC Model[J]. , 2010, 18(2): 286-291.

References

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