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A Molecular Dynamics Study of the Adsorption Equilibrium and Density Of Adsorbates

Authors :
M. R. Gumerov
P. E. Fomenkov
K. M. Anuchin
A. M. Tolmachev
Source :
Journal of Structural Chemistry. 59:1952-1959
Publication Year :
2018
Publisher :
Pleiades Publishing Ltd, 2018.

Abstract

We consider our variants of applying a molecular dynamics method to quantitatively calculate adsorption isotherms of gases and vapor and their mixtures on microporous active coals in a wide temperature range (lower and higher than the critical one for adsorptives) and the dependence of adsorbate densities on the width of slit-like micropores.

Details

ISSN :
15738779 and 00224766
Volume :
59
Database :
OpenAIRE
Journal :
Journal of Structural Chemistry
Accession number :
edsair.doi...........734b15cd6fa1f905fbbc26eca25c0a05
Full Text :
https://doi.org/10.1134/s0022476618080267