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A Comparative Study of Adsorption of Isomeric Molecules on Carbon Sorbents from a Gas and a Liquid

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Abstract—

A comparative study of adsorption of isomeric alkylbenzenes, alkylphenols, and alkanes on carbon sorbents from a gas and a liquid phase using an extended variant of molecular statistics calculations is carried out. In simulation, conformational non-rigidity of molecules is taken into account. This method is shown to satisfactorily estimate proportions between the adsorption characteristics for isomers of hydrocarbons adsorbed on graphitized thermal carbon black from a gas phase. In the case of adsorption from a liquid phase on porous graphitized carbon, additionally, the effect of a solvent and polarizability of the sorbent surface by charged sites of a sorbate molecule are considered. It is demonstrated that, for correct prediction of the ratio between the Henry constants for adsorption of isomers of alkylphenols and alkylbenzenes from solutions, it is necessary to consider both these factors.

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Funding

The work was carried out with partial support from the Program for Basic Research of the Presidium of the Russian Academy of Sciences no. 14-P (former 36-P).

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Authors and Affiliations

  1. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, 119071, Moscow, Russia

    D. D. Matyushin, A. N. Ukleina & A. K. Buryak

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  1. D. D. Matyushin
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  2. A. N. Ukleina
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  3. A. K. Buryak
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Correspondence to D. D. Matyushin.

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Translated by Z. Smirnova

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Matyushin, D.D., Ukleina, A.N. & Buryak, A.K. A Comparative Study of Adsorption of Isomeric Molecules on Carbon Sorbents from a Gas and a Liquid. Prot Met Phys Chem Surf 56, 38–43 (2020). https://doi.org/10.1134/S2070205119060212

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  • DOI: https://doi.org/10.1134/S2070205119060212

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