| 用变阱宽方阱链流体状态方程模拟离子液体相行为 |
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| 引用本文： | 李进龙,何清,何昌春,彭昌军,刘洪来.用变阱宽方阱链流体状态方程模拟离子液体相行为[J].中国化学工程学报,2009,17(6):983-989. |
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| 作者姓名： | 李进龙 何清 何昌春 彭昌军 刘洪来 |
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| 作者单位： | State Key Laboratory of Chemical Engineering and Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China |
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| 基金项目： | 国家自然科学基金，国家重点基础研究发展规划(973计划)，Program for Changjiang Scholars and Innovative Research Team in University of China，the 111 Project of China |
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| 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 pa-rameters 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 tem-perature-independent binary interaction parameter.
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| 关 键 词： | equation of state ionic liquids square-well chain phase behavior |
| 收稿时间： | 2009-6-22 |
| 修稿时间： | 2009-10-14
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Representation of Phase Behavior of Ionic Liquids Using the Equation of State for Square-well Chain Fluids with Variable Range |
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| LI Jinlong,HE Qing,HE Changchun,PENG Changjun,LIU Honglai.Representation of Phase Behavior of Ionic Liquids Using the Equation of State for Square-well Chain Fluids with Variable Range[J].Chinese Journal of Chemical Engineering,2009,17(6):983-989. |
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| Authors: | LI Jinlong HE Qing HE Changchun PENG Changjun LIU Honglai |
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| Affiliation: | State Key Laboratory of Chemical Engineering and Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China |
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| 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 pa-rameters 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 tem-perature-independent binary interaction parameter. |
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| Keywords: | equation of state ionic liquids square-well chain phase behavior |
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