SCI和EI收录∣中国化工学会会刊

Chinese Journal of Chemical Engineering ›› 2014, Vol. 22 ›› Issue (1): 72-78.DOI: 10.1016/S1004-9541(14)60008-2

• 化工热力学 • 上一篇    下一篇

Vapor-Liquid Equilibrium Prediction of Ammonia-Ionic Liquid Working Pairs of Absorption Cycle Using UNIFAC Model

孙光明, 黄维佳, 郑丹星, 董丽, 武向红   

  1. College of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China
  • 收稿日期:2012-09-17 修回日期:2013-02-07 出版日期:2014-01-05 发布日期:2014-01-04
  • 通讯作者: ZHENG Danxing
  • 基金资助:

    Supported by the National Natural Science Foundation of China (50890184, 51276010) and the National Basic Research Program of China (2010CB227304).

Vapor-Liquid Equilibrium Prediction of Ammonia-Ionic Liquid Working Pairs of Absorption Cycle Using UNIFAC Model

SUN Guangming, HUANG Weijia, ZHENG Danxing, DONG Li, WU Xianghong   

  1. College of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China
  • Received:2012-09-17 Revised:2013-02-07 Online:2014-01-05 Published:2014-01-04
  • Contact: ZHENG Danxing
  • Supported by:

    Supported by the National Natural Science Foundation of China (50890184, 51276010) and the National Basic Research Program of China (2010CB227304).

摘要: On the basis of reported experimental vapor-liquid equilibrium (VLE) data of NH3-1-ethyl-3-methylimidazolium acetate (NH3-[Emim]Ac), NH3-1-butyl-3-methylimidazolium tetrafluoroborate (NH3-[Bmim][BF4]), NH3-1,3-dimethylimidazolium dimethyl phosphate (NH3-[Mmim]DMP) and NH3-1-ethyl-3-methylimidazolium ethylsulfate (NH3-[Emim]EtOSO3) binary systems, the interaction parameters of 14 new groups have been regressed by means of the UNIFAC model. To validate the reliability of the method, these parameters have been used to calculate the VLE data with the average relative deviation of pressures of less than 9.35%. The infinite dilution activity coefficient (γ1) and the absorption potential (Ψ1) are important evaluation criterions of the affinity between working pair species of the absorption cycle. The UNIFAC model is implemented to predict the values of γ1 and Ψ1 of 16 sets of NH3-ionic liquid (IL) systems. The work found that the Ψ1 gradually increases following the impact order: Ψ1([Cnmim][BF4])<Ψ1([Cnmim]EtOSO3)<Ψ1([Cnmim]DMP)<Ψ1([Cnmim]Ac) (n=1, 2, 3,...) at a given cation of IL species and constant temperature, and <Ψ1([Mmim]X)<Ψ1([Emim]X)<Ψ1([Pmim]X)<Ψ1([Bmim]X) (X=Ac, [BF4], DMP or EtOSO3) at a given anion of IL species and constant temperature. Furthermore, the Ψ1 gradually increases with increasing temperature. Then, it could be concluded that the working pair NH3-[Bmim]Ac has the best potential research value relatively.

关键词: absorption cycle working pairs, vapor-liquid equilibrium, UNIFAC model, ammonia, ionic liquid

Abstract: On the basis of reported experimental vapor-liquid equilibrium (VLE) data of NH3-1-ethyl-3-methylimidazolium acetate (NH3-[Emim]Ac), NH3-1-butyl-3-methylimidazolium tetrafluoroborate (NH3-[Bmim][BF4]), NH3-1,3-dimethylimidazolium dimethyl phosphate (NH3-[Mmim]DMP) and NH3-1-ethyl-3-methylimidazolium ethylsulfate (NH3-[Emim]EtOSO3) binary systems, the interaction parameters of 14 new groups have been regressed by means of the UNIFAC model. To validate the reliability of the method, these parameters have been used to calculate the VLE data with the average relative deviation of pressures of less than 9.35%. The infinite dilution activity coefficient (γ1) and the absorption potential (Ψ1) are important evaluation criterions of the affinity between working pair species of the absorption cycle. The UNIFAC model is implemented to predict the values of γ1 and Ψ1 of 16 sets of NH3-ionic liquid (IL) systems. The work found that the Ψ1 gradually increases following the impact order: Ψ1([Cnmim][BF4])<Ψ1([Cnmim]EtOSO3)<Ψ1([Cnmim]DMP)<Ψ1([Cnmim]Ac) (n=1, 2, 3,...) at a given cation of IL species and constant temperature, and <Ψ1([Mmim]X)<Ψ1([Emim]X)<Ψ1([Pmim]X)<Ψ1([Bmim]X) (X=Ac, [BF4], DMP or EtOSO3) at a given anion of IL species and constant temperature. Furthermore, the Ψ1 gradually increases with increasing temperature. Then, it could be concluded that the working pair NH3-[Bmim]Ac has the best potential research value relatively.

Key words: absorption cycle working pairs, vapor-liquid equilibrium, UNIFAC model, ammonia, ionic liquid