Numerical Simulation of Adsorption Equilibria of Gases on Microporous Active Carbonsстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 4 мая 2020 г.
Аннотация:Numerical Simulation of Adsorption Equilibria
of Gases on Microporous Active Carbons
A. M. Tolmachev, *, P. E. Fomenkov, M. R. Gumerov and T. A. Kuznetsova
aFaculty of Chemistry, Moscow State University, Moscow, 119991 Russia
*e-mail: amtolmach@yandex.ru
Received June 5, 2019; revised September 4, 2019; accepted September 10, 2019
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.
Keywords: adsorption, microporous carbons, adsorption isotherms, molecular dynamics method
DOI: 10.1134/S2070205120010256