Combined Adsorption and Reaction in the Ternary Mixture N(2), N(2)O(4), NO(2) on MIL-127 Examined by Computer Simulations

[Image: see text] A high selectivity of NO(x) over N(2) (simulating air) is found in silico when studying the adsorption of the ternary mixture N(2)O(4)/NO(2)/N(2) on the metal–organic framework MIL-127(Fe) by molecular simulations under consideration of the recombination reaction N(2)O(4) ↔ 2NO(2)....

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Autores principales: Fritzsche, Siegfried, Chokbunpiam, Tatiya, Caro, Jürgen, Hannongbua, Supot, Janke, Wolfhard, Remsungnen, Tawun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7288586/
https://www.ncbi.nlm.nih.gov/pubmed/32548487
http://dx.doi.org/10.1021/acsomega.9b04494
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author Fritzsche, Siegfried
Chokbunpiam, Tatiya
Caro, Jürgen
Hannongbua, Supot
Janke, Wolfhard
Remsungnen, Tawun
author_facet Fritzsche, Siegfried
Chokbunpiam, Tatiya
Caro, Jürgen
Hannongbua, Supot
Janke, Wolfhard
Remsungnen, Tawun
author_sort Fritzsche, Siegfried
collection PubMed
description [Image: see text] A high selectivity of NO(x) over N(2) (simulating air) is found in silico when studying the adsorption of the ternary mixture N(2)O(4)/NO(2)/N(2) on the metal–organic framework MIL-127(Fe) by molecular simulations under consideration of the recombination reaction N(2)O(4) ↔ 2NO(2). The number of N atoms in nitrogen oxides NO(x) and that in N(2) is used to define a selectivity of the combined adsorption and chemical recombination that can reach values of about 1000.
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spelling pubmed-72885862020-06-15 Combined Adsorption and Reaction in the Ternary Mixture N(2), N(2)O(4), NO(2) on MIL-127 Examined by Computer Simulations Fritzsche, Siegfried Chokbunpiam, Tatiya Caro, Jürgen Hannongbua, Supot Janke, Wolfhard Remsungnen, Tawun ACS Omega [Image: see text] A high selectivity of NO(x) over N(2) (simulating air) is found in silico when studying the adsorption of the ternary mixture N(2)O(4)/NO(2)/N(2) on the metal–organic framework MIL-127(Fe) by molecular simulations under consideration of the recombination reaction N(2)O(4) ↔ 2NO(2). The number of N atoms in nitrogen oxides NO(x) and that in N(2) is used to define a selectivity of the combined adsorption and chemical recombination that can reach values of about 1000. American Chemical Society 2020-05-27 /pmc/articles/PMC7288586/ /pubmed/32548487 http://dx.doi.org/10.1021/acsomega.9b04494 Text en Copyright © 2020 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
spellingShingle Fritzsche, Siegfried
Chokbunpiam, Tatiya
Caro, Jürgen
Hannongbua, Supot
Janke, Wolfhard
Remsungnen, Tawun
Combined Adsorption and Reaction in the Ternary Mixture N(2), N(2)O(4), NO(2) on MIL-127 Examined by Computer Simulations
title Combined Adsorption and Reaction in the Ternary Mixture N(2), N(2)O(4), NO(2) on MIL-127 Examined by Computer Simulations
title_full Combined Adsorption and Reaction in the Ternary Mixture N(2), N(2)O(4), NO(2) on MIL-127 Examined by Computer Simulations
title_fullStr Combined Adsorption and Reaction in the Ternary Mixture N(2), N(2)O(4), NO(2) on MIL-127 Examined by Computer Simulations
title_full_unstemmed Combined Adsorption and Reaction in the Ternary Mixture N(2), N(2)O(4), NO(2) on MIL-127 Examined by Computer Simulations
title_short Combined Adsorption and Reaction in the Ternary Mixture N(2), N(2)O(4), NO(2) on MIL-127 Examined by Computer Simulations
title_sort combined adsorption and reaction in the ternary mixture n(2), n(2)o(4), no(2) on mil-127 examined by computer simulations
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7288586/
https://www.ncbi.nlm.nih.gov/pubmed/32548487
http://dx.doi.org/10.1021/acsomega.9b04494
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