Modified Monte Carlo simulation of adsorption in a spatially inhomogeneous porous system

被引：0
|
作者：
Sizov, V. V. [1 ]
机构：
[1] St Petersburg State Univ, St Petersburg, Russia
来源：
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY | 2006年 / 80卷 / 06期
关键词：
D O I：
10.1134/S003602440606029X
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 modified Monte Carlo method in conjunction with the canonical and grand canonical ensembles is proposed for simulating adsorption in spatially inhomogeneous porous systems. Unlike the traditional Monte Carlo simulation in terms of the grand canonical ensemble, the simulation for the regions of pore space having no direct communication with the bulk phase is performed in local conditions of the canonical ensemble.
引用
收藏
页码：1002 / 1003
页数：2
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