SCI和EI收录∣中国化工学会会刊

›› 2009, Vol. 17 ›› Issue (6): 983-989.

• THERMODYNAMICS AND chemical engineering data • Previous Articles     Next Articles

Representation of Phase Behavior of Ionic Liquids Using the Equation of State for Square-well Chain Fluids with Variable Range

LI Jinlong, HE Qing, HE Changchun, PENG Changjun, LIU Honglai   

  1. State Key Laboratory of Chemical Engineering and Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China
  • Received:2009-06-22 Revised:2009-10-14 Online:2009-12-28 Published:2009-12-28
  • Supported by:
    Supported by the National Natural Science Foundation of China (20876041,20736002);the National Basic Research Program of China (2009CB219902);Program for Changjiang Scholars and Innovative Research Team in University of China (IRT0721);the 111 Project of China (B08021)

Representation of Phase Behavior of Ionic Liquids Using the Equation of State for Square-well Chain Fluids with Variable Range

李进龙, 何清, 何昌春, 彭昌军, 刘洪来   

  1. State Key Laboratory of Chemical Engineering and Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China
  • 通讯作者: PENG Changjun,E-mail:cjpeng@ecust.edu.cn
  • 基金资助:
    Supported by the National Natural Science Foundation of China (20876041,20736002);the National Basic Research Program of China (2009CB219902);Program for Changjiang Scholars and Innovative Research Team in University of China (IRT0721);the 111 Project of China (B08021)

Abstract: An equation of state(EOS) for square-well chain fluids with variable range(SWCF-VR) developed based on statistical mechanics for chemical association was employed for the calculations of pressure-volume-temperature(pVT) and phase equilibrium of pure ionic liquids(ILs) and their mixtures.The new molecular parameters for 23 ILs were obtained by fitting their experimental density data over a wide temperature and pressure ranges.The molecular parameters of ILs composed of homologous organic cation and an identical anion such as [Cxmim][NTf2] are good linear with respect to their molecular weight,indicating that the molecular parameters of homologous substances,subsequently pVT and vapor-liquid equilibria vapor-liquid equilibria(VLE) can be predicted using the generalized parameter when no experimental data were available.The new set of parameters were satisfactorily used for calculations of the property of solvent and ILs mixture and the solubility of gas in various ILs at low pressure only using one temperature-independent binary interaction parameter.

Key words: equation of state, ionic liquids, square-well chain, phase behavior

摘要: An equation of state(EOS) for square-well chain fluids with variable range(SWCF-VR) developed based on statistical mechanics for chemical association was employed for the calculations of pressure-volume-temperature(pVT) and phase equilibrium of pure ionic liquids(ILs) and their mixtures.The new molecular parameters for 23 ILs were obtained by fitting their experimental density data over a wide temperature and pressure ranges.The molecular parameters of ILs composed of homologous organic cation and an identical anion such as [Cxmim][NTf2] are good linear with respect to their molecular weight,indicating that the molecular parameters of homologous substances,subsequently pVT and vapor-liquid equilibria vapor-liquid equilibria(VLE) can be predicted using the generalized parameter when no experimental data were available.The new set of parameters were satisfactorily used for calculations of the property of solvent and ILs mixture and the solubility of gas in various ILs at low pressure only using one temperature-independent binary interaction parameter.

关键词: equation of state, ionic liquids, square-well chain, phase behavior