Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 116, Issue 49, Pages 25904-25910Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp3098022
Keywords
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Funding
- NSF-CBET [0755937]
- NSF REU [EEC-1005048]
- National Energy Technology Laboratory's ongoing research in CO2 capture under the RES [DE-FE0004000]
- Department of Energy, National Energy Technology Laboratory, an agency of the United States Government, through URS Energy & Construction, Inc
- Div Of Chem, Bioeng, Env, & Transp Sys
- Directorate For Engineering [0755937] Funding Source: National Science Foundation
- Div Of Engineering Education and Centers
- Directorate For Engineering [1005048] Funding Source: National Science Foundation
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Porous carbon nanotubes, which are single-walled carbon nanotubes having tailored pores in their sidewalls, are proposed as potential membrane materials for separating gas mixtures with high selectivity and high permeance. We present both quantum mechanical calculations and classical statistical mechanical calculations with empirical potentials showing that porous carbon nanotubes having the correct pore size can very effectively separate mixtures of H-2/CH4 and also of CO2/CH4. In each of these mixtures, CH4 is effectively prevented from entering the pore due to size exclusion. These porous carbon nanotubes could be used in mixed matrix polymer membranes to increase both the permeance and the selectivity for targeted gas mixtures.
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