Vapor-Liquid Equilibrium of Carbon Dioxide-Perfluoroalkane Mixtures: Experimental Data and SAFT Modeling
Vapor-Liquid Equilibrium of Carbon Dioxide-Perfluoroalkane Mixtures: Experimental Data and SAFT Modeling
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二氧化碳-全氟烷烃混合物的气液平衡：实验数据和 SAFT 建模
DOI：
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发表时间：
2006
期刊：
影响因子：
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通讯作者：
I. Marrucho
中科院分区：
文献类型：
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作者：
A. Dias;H. Carrier;J. Daridon;Josep C. Pàmies;L. Vega;J. Coutinho;I. Marrucho
压力组成图测量在不同的温度范围从293.15至353.15 K不同的全氟烷烃，包括线性（全氟正辛烷），环状（全氟萘烷和全氟甲基环己烷），和芳香族化合物（全氟苯和全氟甲苯），在压力高达100巴。使用具有蓝宝石窗口的高压单元进行测量，该蓝宝石窗口允许直接观察相变。选择不同的分子结构以检查溶剂性质对二氧化碳溶解度的影响。采用软统计缔合流体理论（soft-SAFT）状态方程（EoS）描述所研究混合物的相行为，寻找具有预测能力的可传递参数。优化值的链长，Lennard-Jones（LJ）直径，和色散能提供不同的全氟烷烃和二氧化碳。通过在原始软SAFT EoS中加入极性项，研究了明确包含四极矩对二氧化碳、全氟苯和全氟甲苯的影响。
Pressure-composition diagrams were measured at different temperatures ranging from 293.15 to 353.15 K for different perfluoroalkanes including linear (perfluoro-n-octane), cyclic (perfluorodecalin and perfluoromethylcyclohexane), and aromatic compounds (perfluorobenzene and perfluorotoluene), at pressures up to 100 bar. Measurements were performed using a high-pressure cell with a sapphire window that allows direct observation of the phase transition. The different molecular structures were chosen in order to check the influence of the nature of the solvent on the carbon dioxide solubility. The soft-statistical associating fluid theory (soft-SAFT) equation of state (EoS) was used to describe the phase behavior of the mixtures studied, searching for transferable parameters with predictive capability. Optimized values for the chain length, Lennard-Jones (LJ) diameter, and dispersive energy are provided for the different perfluoroalkanes and for carbon dioxide. The effect of the explicit inclusion of a quadrupole moment on carbon dioxide, perfluorobenzene, and perfluorotoluene was studied by adding a polar term to the original soft-SAFT EoS.