Vapor-liquid equilibrium properties for confined binary mixtures involving CO_2,CH_4,and N_2 from Gibbs ensemble Monte Carlo simulations

查看全文 作　　者：LI [1]YingFeng;YU [1]YangXin;ZHENG [1]YuanXiang;LI [1]JiDing

机构地区：[1]Department of Chemical Engineering,Tsinghua University,Beijing 100084,China

出　　处：《Science China Chemistry》索引2012年第55卷第9期,共7页

基　　金：supported by National Natural Science Foundation of China (20876083,20736003);the Specialized Research Fund forthe Doctoral Program of Higher Education (20100002110024);Major State Basic Research Program of China (2009CB623404) 摘　　要：The effects of solid-fluid interactions on the vapor-liquid phase diagram,coexistence density,relative volatility and vaporization enthalpy have been investigated for confined binary systems of CO 2-CH 4,CO 2-N 2 and CH 4-N 2.The Gibbs ensemble Monte Carlo(GEMC) simulation results indicate that the confinement and the solid-fluid interaction have significant influences on the vapor-liquid equilibrium properties.The confinement and the strength of the solid-fluid interaction make the p-x i phase diagram move to higher pressure regions.They also make the two-phase region become narrower for each binary mixture.The strength of the solid-fluid interactions can cause increases in the coexistence liquid and vapor densities,and cause the decrease of the relative volatility and the vaporization enthalpy for the systems studied.As the pore width is decreased,the two-phase region of the binary mixture becomes narrower. 关键词：二元混合物平衡性能系综 CO2 CH4 相对挥发度狭窄 N2

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Vapor-liquid equilibrium properties for confined binary mixtures involving CO_2,CH_4,and N_2 from Gibbs ensemble Monte Carlo simulations

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