caa a22 4500 60548922X CHVBK 20210128100459.0 cr unu---uuuuu 210128e20150101xx s 000 0 eng 10.1134/S1061933X15010172 doi (NATIONALLICENCE)springer-10.1134/S1061933X15010172 Computer simulation of CO2/CH4 mixture adsorption in wet microporous carbons [Elektronische Daten] [A. Sizova, V. Sizov, E. Brodskaya] Adsorption of CH4, CO2 and their mixtures in dry and wet microporous carbons at 298 K is studied using grand canonical Monte Carlo computer simulations. Special attention is paid to the effects of water content and pore size on adsorption capacity and selectivity of the carbonaceous porous material. The presence of pre-adsorbed water may lead to non-monotonic dependence of adsorbed gas capacity on moisture content, which is observed for pure CO2 and CO2/CH4 mixtures at low adsorbate density (i.e., in wider pores, at low gas pressures, for low content of water). This effect is shown to be caused by electrostatic interactions of CO2 molecules with pre-adsorbed water. Under other conditions the presence of water in the pores leads to a decrease of the accessible volume causing a decrease of the adsorption capacity. Pleiades Publishing, Ltd., 2015 Sizova A. Institute of Chemistry, St. Petersburg State University, 26 Universitetskii pr., 198504, St. Petersburg, Russia aut Sizov V. Institute of Chemistry, St. Petersburg State University, 26 Universitetskii pr., 198504, St. Petersburg, Russia aut Brodskaya E. Institute of Chemistry, St. Petersburg State University, 26 Universitetskii pr., 198504, St. Petersburg, Russia aut Colloid Journal Pleiades Publishing 77/1(2015-01-01), 82-90 1061-933X 77:1<82 2015 77 10595 https://doi.org/10.1134/S1061933X15010172 text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1134/S1061933X15010172 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Sizova A. Institute of Chemistry, St. Petersburg State University, 26 Universitetskii pr., 198504, St. Petersburg, Russia aut NATIONALLICENCE 700 1- Sizov V. Institute of Chemistry, St. Petersburg State University, 26 Universitetskii pr., 198504, St. Petersburg, Russia aut NATIONALLICENCE 700 1- Brodskaya E. Institute of Chemistry, St. Petersburg State University, 26 Universitetskii pr., 198504, St. Petersburg, Russia aut NATIONALLICENCE 773 0- Colloid Journal Pleiades Publishing 77/1(2015-01-01), 82-90 1061-933X 77:1<82 2015 77 10595