SUPERSELECTIVITY AND SOLVATION FORCES OF A 2-COMPONENT FLUID ADSORBED IN SLIT MICROPORES

被引:52
作者
SOMERS, SA [1 ]
MCCORMICK, AV [1 ]
DAVIS, HT [1 ]
机构
[1] UNIV MINNESOTA,DEPT CHEM ENGN & MAT SCI,MINNEAPOLIS,MN 55455
关键词
D O I
10.1063/1.465473
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We use the grand canonical Monte Carlo simulation technique to calculate adsorption of mixtures in molecularly narrow slit pores immersed in a two-component bath of spherical molecules that are different in size. The composition of the pore fluid oscillates strongly with the pore width. The oscillations reflect the differing ability of each molecule to pack as layers in the pore. Even in pores wide enough to admit both components, this difference in packing ability leads to a shut-out of the smaller component. Trends in the calculated solvation force agree with both experiment and theory.
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页码:9890 / 9898
页数:9
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