The experimental and MD studies of the sorption processes of organic molecules on the SiO2 surfaceстатья
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Дата последнего поиска статьи во внешних источниках: 17 апреля 2024 г.
Авторы:
Kholmurodov Kh T.,
Simonenko I.O.,
Gladyshev P.P.,
Yablokov M.Y.,
Elhaes H.,
Ibrahim A.,
Ibrahim M.A.
Аннотация:In this paper the experimental and molecular dynamics studies have been performed for theadsorption processes of n-butanol and butyl acetate on the SiO2surface. The experimentalmeasurements of the adsorption/desorption processes of n-butanol and butyl acetate onthe SiO2surface include data from thermokinetic spectrometry. Additionally, the computermolecular dynamics (MD) simulations involved the analysis of temperature, energy, andstructural characteristics of the adsorption processes of n-butanol and butyl acetate on theSiO2surface.