Adsorption and Gas Separation of Molecules by Carbon Nanohorns

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 cone...

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Detalles Bibliográficos
Autores principales: Gatica, Silvina M., Nekhai, Anton, Scrivener, Adam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6274574/
https://www.ncbi.nlm.nih.gov/pubmed/27213313
http://dx.doi.org/10.3390/molecules21050662
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author Gatica, Silvina M.
Nekhai, Anton
Scrivener, Adam
author_facet Gatica, Silvina M.
Nekhai, Anton
Scrivener, Adam
author_sort Gatica, Silvina M.
collection PubMed
description 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.
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spelling pubmed-62745742018-12-28 Adsorption and Gas Separation of Molecules by Carbon Nanohorns Gatica, Silvina M. Nekhai, Anton Scrivener, Adam Molecules Article 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. MDPI 2016-05-19 /pmc/articles/PMC6274574/ /pubmed/27213313 http://dx.doi.org/10.3390/molecules21050662 Text en © 2016 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC-BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Gatica, Silvina M.
Nekhai, Anton
Scrivener, Adam
Adsorption and Gas Separation of Molecules by Carbon Nanohorns
title Adsorption and Gas Separation of Molecules by Carbon Nanohorns
title_full Adsorption and Gas Separation of Molecules by Carbon Nanohorns
title_fullStr Adsorption and Gas Separation of Molecules by Carbon Nanohorns
title_full_unstemmed Adsorption and Gas Separation of Molecules by Carbon Nanohorns
title_short Adsorption and Gas Separation of Molecules by Carbon Nanohorns
title_sort adsorption and gas separation of molecules by carbon nanohorns
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6274574/
https://www.ncbi.nlm.nih.gov/pubmed/27213313
http://dx.doi.org/10.3390/molecules21050662
work_keys_str_mv AT gaticasilvinam adsorptionandgasseparationofmoleculesbycarbonnanohorns
AT nekhaianton adsorptionandgasseparationofmoleculesbycarbonnanohorns
AT scriveneradam adsorptionandgasseparationofmoleculesbycarbonnanohorns

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