文献类型：期刊文献

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

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

作者：Li Jinlong;He Qing;He Changchun;Peng Changjun[1];Liu Honglai

机构：[1]E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China; E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China

年份：2009

卷号：17

期号：6

起止页码：983

中文期刊名：Chinese Journal of Chemical Engineering

外文期刊名：CHINESE JOURNAL OF CHEMICAL ENGINEERING

收录：CSTPCD;;EI(收录号：20100112612277);Scopus;WOS:【SCI-EXPANDED(收录号:WOS:000273508800014)】；CSCD:【CSCD2011_2012】；

基金：Supported by the National Natural Science Foundation of China (20876041, 20736002), the National Basic Research Program of China (2009CB219902), Program for Changiiang Scholars and Innovative Research Team in University of China (IRT0721) and the III Project of China (B08021).

语种：英文

中文关键词：equation of state; ionic liquids; square-well chain; phase behavior

外文关键词：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 mo- lecular 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 p VT 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.
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 ail identical anion such as [C(x)mim][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.