| Title: | Influence of activated carbon porosity and surface oxygen functionalities' presence on adsorption of acetonitrile as a simple polar volatile organic compound |
| Address: | "a Physicochemistry of Carbon Materials Research Group, Faculty of Chemistry , Nicolaus Copernicus University in Torun , Gagarin St. 7, 87-100 Torun , Poland" |
| DOI: | 10.1080/09593330.2015.1018843 |
| ISSN/ISBN: | 0959-3330 (Print) 0959-3330 (Linking) |
| Abstract: | "Based on series of porous carbon models, systematic Monte Carlo studies on the adsorption of acetonitrile (as a simple representative of polar volatile organic compounds) were performed. The influence of porosity and chemical composition of the carbon surface on CH3CN adsorption was studied and it was shown that both the factors influenced the adsorption mechanism. A decrease in the pore size and the introduction of oxygen surface groups led to a rise in adsorption energy and to an increase in the filling of accessible volume in the low-pressure part of the isotherm. However, from a practical point of view, it is easier to increase the adsorption by introducing polar groups on the carbon surface than by modifying the porosity" |
| Keywords: | "Acetonitriles/*chemistry/*isolation & purification Adsorption Charcoal/*chemistry Computer Simulation Models, Chemical Models, Molecular *Models, Statistical Monte Carlo Method Oxygen/*chemistry Porosity Surface Properties Volatile Organic Compounds/*chem;" |
| Notes: | "MedlineFurmaniak, Sylwester eng Research Support, Non-U.S. Gov't England 2015/02/17 Environ Technol. 2015 Jul-Aug; 36(13-16):1984-99. doi: 10.1080/09593330.2015.1018843. Epub 2015 Mar 18" |
