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Molecules 2016, 21(5), 662; doi:10.3390/molecules21050662

Adsorption and Gas Separation of Molecules by Carbon Nanohorns

Department of Physics and Astronomy, Howard University, 2355 Sixth Street NW, Washington, DC 20059, USA
Rensselaer Polytechnic Institute, 110 Eighth Street, Troy, NY 12180, USA
Department of Computer Science, University of Rochester, 500 Joseph C. Wilson Boulevard, Rochester, NY 14627, USA
Participant in the summer Research Experiences for Undergraduates (REU), National Science Foundation (NSF) summer program, at Howard University (2015)
Participant in the summer Research Experiences for Undergraduates (REU), National Science Foundation (NSF) summer program, at Howard University (2014)
Author to whom correspondence should be addressed.
Academic Editor: Saikat Talapatra
Received: 14 March 2016 / Revised: 30 April 2016 / Accepted: 12 May 2016 / Published: 19 May 2016
(This article belongs to the Special Issue Carbon Nanotubes: Advances and Applications)
View Full-Text   |   Download PDF [2656 KB, uploaded 19 May 2016]   |  


In this paper, we report the results of Monte Carlo simulations of the adsorption of neon, argon, methane and carbon dioxide in carbon nanohorns. We model the nanohorns as an array of carbon cones and obtained adsorption isotherms and isosteric heats. The main sites of adsorption are inside the cones and in the interstices between three cones. We also calculated the selectivity of carbon dioxide/methane, finding that nanohorns are a suitable substrate for gas separation. Our simulations are compared to available experimental data. View Full-Text
Keywords: adsorption; carbon nanohorns; carbon dioxide adsorption; carbon nanohorns; carbon dioxide

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Gatica, S.M.; Nekhai, A.; Scrivener, A. Adsorption and Gas Separation of Molecules by Carbon Nanohorns. Molecules 2016, 21, 662.

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