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

— 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...

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Bibliographic Details
Published in:Protection of metals and physical chemistry of surfaces 2020, Vol.56 (1), p.38-43
Main Authors: Matyushin, D. D., Ukleina, A. N., Buryak, A. K.
Format: Article
Language:English
Subjects:
Adsorption
Alkanes
Alkylbenzenes
Carbon
Carbon black
Characterization and Evaluation of Materials
Chemistry and Materials Science
Comparative studies
Corrosion and Coatings
Graphitization
Industrial Chemistry/Chemical Engineering
Inorganic Chemistry
Isomers
Liquid phases
Materials Science
Mathematical analysis
Metallic Materials
Physicochemical Processes at the Interfaces
Sorbents
Tribology
Vapor phases
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Summary:— 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.
ISSN:2070-2051
2070-206X
DOI:10.1134/S2070205119060212