Nitrogen-Doped Mesoporous Carbon for Carbon Capture A Molecular Simulation Study
- ORNL
Using molecular simulation, we investigate the effect of nitrogen doping on adsorption capacity and selectivity of CO{sub 2} versus N{sub 2} in model mesoporous carbon. We show that nitrogen doping greatly enhances CO{sub 2} adsorption capacity; with a 7 wt % dopant concentration, the adsorption capacity at 1 bar and 298 K increases from 3 to 12 mmol/g (or 48% uptake by weight). This great enhancement is due to the preferred interaction between CO{sub 2} and the electronegative nitrogen. The nitrogen doping coupled with the mesoporosity also leads to a much higher working capacity for adsorption of the CO{sub 2}/N{sub 2} mixture in nitrogen-doped mesoporous carbon. In addition, the CO{sub 2}/N{sub 2} selectivity is almost 5 times greater than in nondoped carbon at ambient conditions. This work indicates that nitrogen doping is a promising strategy to create mesoporous carbons for high-capacity, selective carbon capture.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- DE-AC05-00OR22725
- OSTI ID:
- 1038520
- Journal Information:
- Journal of Physical Chemistry C, Vol. 116, Issue 12; ISSN 1932-7447
- Country of Publication:
- United States
- Language:
- English
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