TY - GEN
T1 - Molecular modeling of the adsorption of CO2 in metal-organic frameworks
AU - Yazaydin, A. Ozgur
AU - Snur, Randy
AU - Low, John J.
PY - 2007/12/1
Y1 - 2007/12/1
N2 - Metal-organic frameworks (MOF) are nanoporous materials with potential applications in adsorption separations, catalysis, and gas storage. Atomistic grand canonical Monte Carlo simulations were used to study the selective adsorption of CO2 over other gases, e.g., N2, CH4, and H2 in several classes of MOF to explore the possibilities for the removal of CO2 from flue gas. Comparisons of predicted single-component isotherms and heats of adsorption were made with published data. Predictions for mixtures were used to make suggestions for possible separations applications. This is an abstract of a paper presented at the 2007 AIChE Annual Meeting (Salt Lake City, UT 11/4-9/2007).
AB - Metal-organic frameworks (MOF) are nanoporous materials with potential applications in adsorption separations, catalysis, and gas storage. Atomistic grand canonical Monte Carlo simulations were used to study the selective adsorption of CO2 over other gases, e.g., N2, CH4, and H2 in several classes of MOF to explore the possibilities for the removal of CO2 from flue gas. Comparisons of predicted single-component isotherms and heats of adsorption were made with published data. Predictions for mixtures were used to make suggestions for possible separations applications. This is an abstract of a paper presented at the 2007 AIChE Annual Meeting (Salt Lake City, UT 11/4-9/2007).
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M3 - Conference contribution
AN - SCOPUS:58049094835
SN - 9780816910229
T3 - 2007 AIChE Annual Meeting
BT - 2007 AIChE Annual Meeting
T2 - 2007 AIChE Annual Meeting
Y2 - 4 November 2007 through 9 November 2007
ER -