Molecular Modelling of N2O/NO Separation in Acid Mordenite: Comparison with Gas-Chromatographic Experiments
Source abstract
Abstract
Molecular modelling, utilising the Grand Canonical Monte Carlo method, was employed to study the interactions between nitrous oxide (N2O) and nitric oxide (NO) with a solid matrix, namely mordenite, before and after charge equilibration. The results indicate that the charge equilibration leads to an adsorption which is independent of the pressure. Comparison with gas-chromatographic experiments indicate that charge equilibration is not allowed in acid mordenite. Therefore, in the case of polar molecules, their adsorption depends on the charge in the zeolite micropores.
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Research context
OpenAlex topics: Catalysis and Oxidation Reactions · Catalytic Processes in Materials Science · Zeolite Catalysis and Synthesis
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