期刊
JOURNAL OF COLLOID AND INTERFACE SCIENCE
卷 316, 期 2, 页码 652-659出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcis.2007.08.059
关键词
adsorption; pillared pore; density functional theory; Monte Carlo simulation
We propose a density functional theory to describe adsorption of Lermard-Jones fluid in pillared slit like pores. Specifically, the pillars are built of chains that are bonded by their ends to the opposite pore walls. The approach we propose combines theory of quenched-annealed systems and theory of nonuniform fluids involving chain molecules. We compare the results of theoretical predictions with grand canonical ensemble Monte Carlo simulations and compute theoretical capillary condensation phase diagrams for several model systems. (C) 2007 Elsevier Inc. All rights reserved.
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