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Numerical Simulation of Adsorption Equilibria of Gases on Microporous Active Carbons

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Abstract

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.

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Funding

The present study was conducted with the financial support of the Russian Foundation for Basic Research, project no. 18-33-00333.

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Authors and Affiliations

  1. Faculty of Chemistry, Moscow State University, 119991, Moscow, Russia

    A. M. Tolmachev, P. E. Fomenkov, M. R. Gumerov & T. A. Kuznetsova

Authors
  1. A. M. Tolmachev
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  2. P. E. Fomenkov
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  3. M. R. Gumerov
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  4. T. A. Kuznetsova
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Corresponding author

Correspondence to A. M. Tolmachev.

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Translated by D. Marinin

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Tolmachev, A.M., Fomenkov, P.E., Gumerov, M.R. et al. Numerical Simulation of Adsorption Equilibria of Gases on Microporous Active Carbons. Prot Met Phys Chem Surf 56, 6–9 (2020). https://doi.org/10.1134/S2070205120010256

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  • DOI: https://doi.org/10.1134/S2070205120010256

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