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Molecular Dynamic Calculations of the Adsorption Equilibrium of Gas Mixtures in Micropores of Active Carbon and on Graphene Surfaces
Protection of Metals and Physical Chemistry of Surfaces ( IF 1.1 ) Pub Date : 2020-11-17 , DOI: 10.1134/s2070205120050147
M. R. Gumerov , P. E. Fomenkov , T. A. Kuznetsova , A. M. Tolmachev

Abstract

As an addition to previously obtained data, it has been shown that the adsorption isotherms calculated by the molecular dynamics method for components of light hydrocarbon mixtures in micropores of active carbons and on graphene surfaces are quantitatively described by equations of lattice models with well-coordinated equation parameters.



中文翻译:

活性炭微孔中和石墨烯表面上气体混合物吸附平衡的分子动力学计算

摘要

作为以前获得的数据的补充,已经表明,通过分子动力学方法对活性炭微孔中和石墨烯表面上的轻烃混合物组分的吸附等温线是通过晶格模型方程与协调性良好的方程定量描述的参数。

更新日期:2020-11-17
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