A new method to determine pore size and its volume distribution of porous solids having known atomistic configuration

被引：36

作者：

Do, D. D. ^{[1
]}

Herrera, L. F. ^{[1
]}

Do, H. D. ^{[1
]}

机构：

[1] Univ Queensland, Sch Engn, St Lucia, Qld 4072, Australia

来源：

JOURNAL OF COLLOID AND INTERFACE SCIENCE | 2008年 / 328卷 / 01期

基金：

澳大利亚研究理事会;

关键词：

Pore volume distribution; Accessible volume; Porous solids; Monte Carlo integration;

D O I：

10.1016/j.jcis.2008.08.060

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 simple method, based on Monte Carlo integration, is presented to derive pore size and its volume distribution for porous solids having known configuration of solid atoms. Because pores do not have any particular shape, it is important that we define the pore size in an unambiguous manner and the volume associated with each pore size. The void volume that we adopt is the one that is accessible to the center of mass of the probe particle. We test this new method with porous solids having well defined pores such as graphitic slit pores and carbon nanotubes, and then apply it to obtain the pore volume distribution of complex solids such as disordered solids, rectangular pores, defected graphitic pores, metal organic framework and zeolite. (C) 2008 Elsevier Inc. All rights reserved.

引用

页码：110 / 119

页数：10

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