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Numerical modeling of physical adsorption on the surface of an amorphous substance with small degrees of filling

  • Physical Chemistry
  • Published:
Bulletin of the Academy of Sciences of the USSR, Division of chemical science Aims and scope

Conclusions

  1. 1.

    The inhomogeneity of the surface of many adsorbents is due to the amorphism of their surface layers, which occurs for amorphous adsorbents and ultradisperse crystallites.

  2. 2.

    The amorphous atomic structure of the surface layer of an adsorbent with an inhomogeneous surface can be simulated on the computer as close, random packing of solid spheres. The minima of the adsorption potential, which is calculated as the sum of the contributions of each atom-sphere, are the adsorption sites.

  3. 3.

    The energy of the interaction between adsorbed argon atoms is determined by the interaction of closely positioned pairs of atoms. The mechanism of this interaction consists of the mutual displacement of neighboring atoms from the adsorption sites.

  4. 4.

    The isotherm of adsorption of argon on a model of an amorphous oxide with low degrees of filling is described by the Dubinin-Radushkevich equation.

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Authors and Affiliations

  1. Institute of Physical Chemistry, USSR

    V. A. Bakaev

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  1. V. A. Bakaev
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 7, pp. 1478–1483, July, 1988.

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Bakaev, V.A. Numerical modeling of physical adsorption on the surface of an amorphous substance with small degrees of filling. Russ Chem Bull 37, 1303–1308 (1988). https://doi.org/10.1007/BF00962726

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  • DOI: https://doi.org/10.1007/BF00962726

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