Kinetic modelling of catalytic methane oxidation by plasma-activated NO_X specie

Methane abatement from dilute sources remains a critical environmental challenge. In this work, a multi-scale numerical framework is developed to simulate methane oxidation by NO_X with Palladium-based catalysts. To this purpose, we develop a mesoscopic model capturing key plasma-surface interaction mechanisms including the elementary steps of adsorption, surface diffusion, surface reactions and thermal desorption. DFT calculations are used to obtain some of the fundamental data required as input to the model. The mesoscopic model is benchmarked against literature references for the same conditions and then is used in conditions of industrial interest to provide a full description of the surface reactions oxidizing CH₄ from NO_X plasma products. With appropriate validation, our study will provide reference data for subsequent studies involving catalytic surfaces, and will support the prediction of optimal catalytic conditions and the design of efficient plasma-based solutions for environmental applications.