Kinetic Modeling of NOx Formation and Consumption during Methanol and Ethanol Oxidation

Reaction mechanism

This work presents a newly developed kinetic mechanism for the oxidation of methanol and ethanol and their fuel interaction with NOx (NO and NO2) chemistry in jet-stirred and flow reactors, freely propagating and burner-stabilized premixed flames, as well as shock tubes. This work also taken in account the ammonia (NH3) as a fuel. The model is validated for large range of small hydrocarbons: CH4, C2H2. C2H4, C2H6, H2, syngas, NH3. The mechanism is developed hierarchical from previous work (https://pubs.acs.org/doi/10.1021/acs.energyfuels.8b01056).