Separation of CO2 and N2 by adsorption in C 168 schwarzite: A combination of quantum mechanics and molecular simulation study

Journal of the American Chemical Society

Volumn 127, Issue 34, 2005, Pages 11989-11997

  Jiang, Jianwen ^a   Sandler, Stanley I ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; COMPUTER SIMULATION; GAS ADSORPTION; MONTE CARLO METHODS; NITROGEN; PARAMETER ESTIMATION;

NONPOROUS CARBONS; STEELE POTENIAL;

CARBON DIOXIDE;

ADSORBENT; CARBON; CARBON DIOXIDE; GRAPHITE; NITROGEN; SILICON DIOXIDE; ZEOLITE;

AB INITIO CALCULATION; ADSORPTION; ARTICLE; CHEMICAL INTERACTION; ENERGY; FLUE GAS; GAS; HEAT; POROSITY; QUANTUM MECHANICS; ROOM TEMPERATURE; SIMULATION;

EID: 24144499977     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0424575     Document Type: Article

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