Research paperChemical effect of no (cas 116632-23-6) on CH4 oxidation during combustion in O2/no (cas 116632-23-6) environments

Add time:08/16/2019    Source:sciencedirect.com

The effect of no (cas 116632-23-6) on methane oxidation in O2/NO combustion atmosphere was investigated using reactive molecular dynamics (RMD) calculations. It has been observed that, the conversion of NO could accelerate the oxidation of CH4. To provide a detailed description for this phenomenon, the corresponding kinetic behavior of nitrogen-containing compounds were systematically analyzed at atomistic level. It revealed that NO presented a two-fold impact with respect to CH4 oxidation, on one hand, the presence of NO enhanced CH4 consumption by converting HO2 into OH radical; on the other hand, the appearance of NO inhibited CH4 consumption by catalyzing chain-carrier recombination reaction.

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