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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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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. |
format | Online Article Text |
id | pubmed-9841568 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
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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