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A Modified Fokker–Planck Approach for a Complete Description of Vibrational Kinetics in a N(2) Plasma Chemistry Model

[Image: see text] The Fokker–Planck (FP) approach for the description of vibrational kinetics is extended in order to include multiquanta transitions and time dependent solutions. Due to the importance of vibrational ladder climbing for the optimization of plasma-assisted nitrogen fixation, nitrogen...

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Autores principales: Altin, Margherita, Vialetto, Luca, Longo, Savino, Viegas, Pedro, Diomede, Paola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9841568/
https://www.ncbi.nlm.nih.gov/pubmed/36580578
http://dx.doi.org/10.1021/acs.jpca.2c06042
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author Altin, Margherita
Vialetto, Luca
Longo, Savino
Viegas, Pedro
Diomede, Paola
author_facet Altin, Margherita
Vialetto, Luca
Longo, Savino
Viegas, Pedro
Diomede, Paola
author_sort Altin, Margherita
collection PubMed
description [Image: see text] The Fokker–Planck (FP) approach for the description of vibrational kinetics is extended in order to include multiquanta transitions and time dependent solutions. Due to the importance of vibrational ladder climbing for the optimization of plasma-assisted nitrogen fixation, nitrogen is used as a test case with a comprehensive set of elementary processes affecting the vibrational distribution function (VDF). The inclusion of the vibrational energy equation is shown to be the best way to model transient conditions in a plasma reactor using the FP approach. Results are benchmarked against results from the widely employed state-to-state (STS) approach for a wide parameters range. STS and FP solutions agree within ∼10% for the lowest vibrational levels, while time dependent VDFs are in agreement with the STS solution within a ∼ 5% error. Using the FP approach offers the possibility to parametrize drift and diffusion coefficients in energy space as a function of vibrational and gas temperature, providing intuitive and immediate insights into energy transport within the vibrational manifold.
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spelling pubmed-98415682023-01-17 A Modified Fokker–Planck Approach for a Complete Description of Vibrational Kinetics in a N(2) Plasma Chemistry Model Altin, Margherita Vialetto, Luca Longo, Savino Viegas, Pedro Diomede, Paola J Phys Chem A [Image: see text] The Fokker–Planck (FP) approach for the description of vibrational kinetics is extended in order to include multiquanta transitions and time dependent solutions. Due to the importance of vibrational ladder climbing for the optimization of plasma-assisted nitrogen fixation, nitrogen is used as a test case with a comprehensive set of elementary processes affecting the vibrational distribution function (VDF). The inclusion of the vibrational energy equation is shown to be the best way to model transient conditions in a plasma reactor using the FP approach. Results are benchmarked against results from the widely employed state-to-state (STS) approach for a wide parameters range. STS and FP solutions agree within ∼10% for the lowest vibrational levels, while time dependent VDFs are in agreement with the STS solution within a ∼ 5% error. Using the FP approach offers the possibility to parametrize drift and diffusion coefficients in energy space as a function of vibrational and gas temperature, providing intuitive and immediate insights into energy transport within the vibrational manifold. American Chemical Society 2022-12-29 /pmc/articles/PMC9841568/ /pubmed/36580578 http://dx.doi.org/10.1021/acs.jpca.2c06042 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Altin, Margherita
Vialetto, Luca
Longo, Savino
Viegas, Pedro
Diomede, Paola
A Modified Fokker–Planck Approach for a Complete Description of Vibrational Kinetics in a N(2) Plasma Chemistry Model
title A Modified Fokker–Planck Approach for a Complete Description of Vibrational Kinetics in a N(2) Plasma Chemistry Model
title_full A Modified Fokker–Planck Approach for a Complete Description of Vibrational Kinetics in a N(2) Plasma Chemistry Model
title_fullStr A Modified Fokker–Planck Approach for a Complete Description of Vibrational Kinetics in a N(2) Plasma Chemistry Model
title_full_unstemmed A Modified Fokker–Planck Approach for a Complete Description of Vibrational Kinetics in a N(2) Plasma Chemistry Model
title_short A Modified Fokker–Planck Approach for a Complete Description of Vibrational Kinetics in a N(2) Plasma Chemistry Model
title_sort modified fokker–planck approach for a complete description of vibrational kinetics in a n(2) plasma chemistry model
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9841568/
https://www.ncbi.nlm.nih.gov/pubmed/36580578
http://dx.doi.org/10.1021/acs.jpca.2c06042
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