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Poster Session I

4:30 pm – 6:30 pm, Tuesday October 14 Session DT4 COEX, Lobby E
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Kinetic modelling of catalytic methane oxidation by plasma-activated NOX specie

Poster 27
Presenter: Pedro Viegas (Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico - Universidade de Lisboa)
Authors: Farzaneh Ostovarpour (Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico - Universidade de Lisboa), Baptiste Granet (Instituto Superior Técnico - Universidade de Lisboa), Vasco Guerra (Instituto de Plasmas e Fusão Nuclear, Instituto Superior Técnico, Universidade de Lisboa), Karina Shimizu (Centro de Química Estrutural, Instituto Superior Técnico, Universidade de Lisboa), Adílson Freitas (Centro de Química Estrutural, Instituto Superior Técnico, Universidade de Lisboa)

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 NOX 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 NOX 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.

Funding acknowledgement

This work was supported by FCT (Fundação para a Ciência e a Tecnologia), under funding to IPFN: UIDB/50010/2020 (https://doi.org/10.54499/UIDB/50010/2020), UIDP/50010/2020 (https://doi.org/10.54499/UIDP/50010/2020), LA/P/0061/2020 (https://doi.org/10.54499/LA/P/0061/2020); and by European Union under Horizon Europe project CANMILK (DOI:10.3030/101069491). PV and KS acknowledge support by projects CEECIND/00025/2022 and 2023.09286.CEECIND of FCT.

POSTERS (97)