A high selectivity of NO over N (simulating air) is found in silico when studying the adsorption of the ternary mixture NO/NO/N on the metal-organic framework MIL-127(Fe) by molecular simulations under consideration of the recombination reaction NO ↔ 2NO. The number of N atoms in nitrogen oxides NO and that in N is used to define a selectivity of the combined adsorption and chemical recombination that can reach values of about 1000.
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| http://dx.doi.org/10.1021/acsomega.9b04494 | DOI Listing |
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