A molecular model of adsorption in a dilute semiflexible porous network

被引：25

作者：

Shen, J ^{[1
]}

Monson, PA ^{[1
]}

机构：

[1] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA

来源：

MOLECULAR PHYSICS | 2002年 / 100卷 / 13期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1080/00268970110109943

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：

A Monte Carlo simulation study has been made of adsorption and desorption of a gas in a semiflexible porous network with a porosity of over 95%, which is comparable with that of silica aerogels. Although dilute, the network has substantial effects on the properties of confined fluids. Network flexibility is shown to make a significant difference to both the adsorption/desorption isotherms and the fluid phase coexistence when compared with the case where the network is rigid. For one of the systems studied the solid volume changes by as much as 30% during desorption. This is qualitatively similar to an effect seen in nitrogen adsorption/desorption in some silica aerogels.

引用

页码：2031 / 2039

页数：9

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