Adsorption and the Chemical Reaction N(2)O(4) ↔ 2NO(2) in the Presence of N(2) in a Gas Phase Connected with a Carbon Nanotube

[Image: see text] The paper shows, by molecular simulations, that a CNT (9,9) carbon nanotube allows very efficient separation of nitrogen oxides (NO(x)) from N(2), that has in good approximation properties of the complete air mixture. Gibbs ensemble Monte Carlo simulations are used to describe the...

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Autores principales: Thompho, Somphob, Fritzsche, Siegfried, Chokbunpiam, Tatiya, Remsungnen, Tawun, Janke, Wolfhard, Hannongbua, Supot
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8280629/
https://www.ncbi.nlm.nih.gov/pubmed/34278120
http://dx.doi.org/10.1021/acsomega.1c01459
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author Thompho, Somphob
Fritzsche, Siegfried
Chokbunpiam, Tatiya
Remsungnen, Tawun
Janke, Wolfhard
Hannongbua, Supot
author_facet Thompho, Somphob
Fritzsche, Siegfried
Chokbunpiam, Tatiya
Remsungnen, Tawun
Janke, Wolfhard
Hannongbua, Supot
author_sort Thompho, Somphob
collection PubMed
description [Image: see text] The paper shows, by molecular simulations, that a CNT (9,9) carbon nanotube allows very efficient separation of nitrogen oxides (NO(x)) from N(2), that has in good approximation properties of the complete air mixture. Gibbs ensemble Monte Carlo simulations are used to describe the adsorption. The permanent chemical reaction between N(2)O(4) and NO(2), which occurs simultaneously to adsorption, is treated by the reactive Monte Carlo simulation. A very high selectivity has been found. For a low pressure and at T = 298 K, an adsorption/reaction selectivity between NO(x) and N(2) can reach values up to 3 × 10(3).
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spelling pubmed-82806292021-07-16 Adsorption and the Chemical Reaction N(2)O(4) ↔ 2NO(2) in the Presence of N(2) in a Gas Phase Connected with a Carbon Nanotube Thompho, Somphob Fritzsche, Siegfried Chokbunpiam, Tatiya Remsungnen, Tawun Janke, Wolfhard Hannongbua, Supot ACS Omega [Image: see text] The paper shows, by molecular simulations, that a CNT (9,9) carbon nanotube allows very efficient separation of nitrogen oxides (NO(x)) from N(2), that has in good approximation properties of the complete air mixture. Gibbs ensemble Monte Carlo simulations are used to describe the adsorption. The permanent chemical reaction between N(2)O(4) and NO(2), which occurs simultaneously to adsorption, is treated by the reactive Monte Carlo simulation. A very high selectivity has been found. For a low pressure and at T = 298 K, an adsorption/reaction selectivity between NO(x) and N(2) can reach values up to 3 × 10(3). American Chemical Society 2021-06-29 /pmc/articles/PMC8280629/ /pubmed/34278120 http://dx.doi.org/10.1021/acsomega.1c01459 Text en © 2021 The Authors. Published by American Chemical Society Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Thompho, Somphob
Fritzsche, Siegfried
Chokbunpiam, Tatiya
Remsungnen, Tawun
Janke, Wolfhard
Hannongbua, Supot
Adsorption and the Chemical Reaction N(2)O(4) ↔ 2NO(2) in the Presence of N(2) in a Gas Phase Connected with a Carbon Nanotube
title Adsorption and the Chemical Reaction N(2)O(4) ↔ 2NO(2) in the Presence of N(2) in a Gas Phase Connected with a Carbon Nanotube
title_full Adsorption and the Chemical Reaction N(2)O(4) ↔ 2NO(2) in the Presence of N(2) in a Gas Phase Connected with a Carbon Nanotube
title_fullStr Adsorption and the Chemical Reaction N(2)O(4) ↔ 2NO(2) in the Presence of N(2) in a Gas Phase Connected with a Carbon Nanotube
title_full_unstemmed Adsorption and the Chemical Reaction N(2)O(4) ↔ 2NO(2) in the Presence of N(2) in a Gas Phase Connected with a Carbon Nanotube
title_short Adsorption and the Chemical Reaction N(2)O(4) ↔ 2NO(2) in the Presence of N(2) in a Gas Phase Connected with a Carbon Nanotube
title_sort adsorption and the chemical reaction n(2)o(4) ↔ 2no(2) in the presence of n(2) in a gas phase connected with a carbon nanotube
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8280629/
https://www.ncbi.nlm.nih.gov/pubmed/34278120
http://dx.doi.org/10.1021/acsomega.1c01459
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