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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)....
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2020
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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 |