Computer simulation of CO2/CH4 mixture adsorption in wet microporous carbons

Verfasser / Beitragende:
[A. Sizova, V. Sizov, E. Brodskaya]
Ort, Verlag, Jahr:
2015
Enthalten in:
Colloid Journal, 77/1(2015-01-01), 82-90
Format:
Artikel (online)
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024 7 0 |a 10.1134/S1061933X15010172  |2 doi 
035 |a (NATIONALLICENCE)springer-10.1134/S1061933X15010172 
245 0 0 |a Computer simulation of CO2/CH4 mixture adsorption in wet microporous carbons  |h [Elektronische Daten]  |c [A. Sizova, V. Sizov, E. Brodskaya] 
520 3 |a 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. 
540 |a Pleiades Publishing, Ltd., 2015 
700 1 |a Sizova  |D A.  |u Institute of Chemistry, St. Petersburg State University, 26 Universitetskii pr., 198504, St. Petersburg, Russia  |4 aut 
700 1 |a Sizov  |D V.  |u Institute of Chemistry, St. Petersburg State University, 26 Universitetskii pr., 198504, St. Petersburg, Russia  |4 aut 
700 1 |a Brodskaya  |D E.  |u Institute of Chemistry, St. Petersburg State University, 26 Universitetskii pr., 198504, St. Petersburg, Russia  |4 aut 
773 0 |t Colloid Journal  |d Pleiades Publishing  |g 77/1(2015-01-01), 82-90  |x 1061-933X  |q 77:1<82  |1 2015  |2 77  |o 10595 
856 4 0 |u https://doi.org/10.1134/S1061933X15010172  |q text/html  |z Onlinezugriff via DOI 
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900 7 |a Metadata rights reserved  |b Springer special CC-BY-NC licence  |2 nationallicence 
908 |D 1  |a research-article  |2 jats 
949 |B NATIONALLICENCE  |F NATIONALLICENCE  |b NL-springer 
950 |B NATIONALLICENCE  |P 856  |E 40  |u https://doi.org/10.1134/S1061933X15010172  |q text/html  |z Onlinezugriff via DOI 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Sizova  |D A.  |u Institute of Chemistry, St. Petersburg State University, 26 Universitetskii pr., 198504, St. Petersburg, Russia  |4 aut 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Sizov  |D V.  |u Institute of Chemistry, St. Petersburg State University, 26 Universitetskii pr., 198504, St. Petersburg, Russia  |4 aut 
950 |B NATIONALLICENCE  |P 700  |E 1-  |a Brodskaya  |D E.  |u Institute of Chemistry, St. Petersburg State University, 26 Universitetskii pr., 198504, St. Petersburg, Russia  |4 aut 
950 |B NATIONALLICENCE  |P 773  |E 0-  |t Colloid Journal  |d Pleiades Publishing  |g 77/1(2015-01-01), 82-90  |x 1061-933X  |q 77:1<82  |1 2015  |2 77  |o 10595