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Journal of Structural Chemistry

, Volume 59, Issue 8, pp 1952–1959 | Cite as

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

  • A. M. TolmachevEmail author
  • K. M. Anuchin
  • P. E. Fomenkov
  • M. R. Gumerov
Article
  • 4 Downloads

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.

Keywords

adsorption adsorption isotherms numerical experiment molecular dynamics slit-like micropores carbon adsorbents 

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Copyright information

© Pleiades Publishing, Ltd. 2018

Authors and Affiliations

  • A. M. Tolmachev
    • 1
    Email author
  • K. M. Anuchin
    • 1
  • P. E. Fomenkov
    • 1
  • M. R. Gumerov
    • 1
  1. 1.Moscow State UniversityMoscowRussia

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