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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Detalles Bibliográficos
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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