Numerical Simulation of Adsorption Equilibria of Gases on Microporous Active Carbons

被引：1

作者：

Tolmachev, A. M. ^{[1
]}

Fomenkov, P. E. ^{[1
]}

Gumerov, M. R. ^{[1
]}

Kuznetsova, T. A. ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, Fac Chem, Moscow 119991, Russia

来源：

PROTECTION OF METALS AND PHYSICAL CHEMISTRY OF SURFACES | 2020年 / 56卷 / 01期

基金：

俄罗斯基础研究基金会;

关键词：

adsorption; microporous carbons; adsorption isotherms; molecular dynamics method; MOLECULAR-DYNAMICS SIMULATION; ISOTHERMS; MIXTURES; METHANE;

D O I：

10.1134/S2070205120010256

中图分类号：

TF [冶金工业];

学科分类号：

0806 ;

摘要：

It has been demonstrated that adsorption isotherms on microporous activated carbons calculated by the method of molecular dynamics at temperatures higher than critical for adsorbents quantitatively coincide with experimental isotherms at calculations in micropores of finite sizes, with the micropore width being chosen in accordance with the theory of micropore volume filling and properly selected force field.

引用

页码：6 / 9

页数：4

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