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Weighted Network Degree Screening Method for Low-Temperature Combustion Mechanism Reduction

[Image: see text] A new method is proposed for the reduction mechanism used in the low-temperature negative temperature coefficient region on the basis of the statistical degree screening (SDS) method. Dynamic information is used to redefine network structure and exclude the influence of very weak i...

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Autores principales: He, Jiyun, Liang, Shengyao, Ai, Mengze, Wang, Guo, Ji, Lin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10157667/
https://www.ncbi.nlm.nih.gov/pubmed/37151494
http://dx.doi.org/10.1021/acsomega.3c00564
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author He, Jiyun
Liang, Shengyao
Ai, Mengze
Wang, Guo
Ji, Lin
author_facet He, Jiyun
Liang, Shengyao
Ai, Mengze
Wang, Guo
Ji, Lin
author_sort He, Jiyun
collection PubMed
description [Image: see text] A new method is proposed for the reduction mechanism used in the low-temperature negative temperature coefficient region on the basis of the statistical degree screening (SDS) method. Dynamic information is used to redefine network structure and exclude the influence of very weak interactions on node degree according to the statistics character of their distribution as edge weight. Representative low-temperature conditions are used to set weight thresholds to redefine the network structure so that an effective low-temperature oxidation mechanism is covered while negligible interactions are overlooked. Then, the reduction mechanism is obtained by the SDS method through screening out the redundant species and corresponding reactions according to the scale-free character of the degree distribution. This weighted network degree screening (WNDS) method is demonstrated in the n-heptane system. The performance of the reduced mechanism is evaluated in a closed homogeneous reactor for the fuel over T = 600–1000 K, P = 1–30 atm, and φ = 0.5–2. Results show WNDS yields a skeletal mechanism with comparable or even better prediction ability over a wide parameter range than those generated by directed relation graph. WNDS is a novel statistical property-based reduction method that is suitable for low-temperature oxidation reduction. Its good reduction application indicates a brand-new angle for large combustion mechanism reduction.
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spelling pubmed-101576672023-05-05 Weighted Network Degree Screening Method for Low-Temperature Combustion Mechanism Reduction He, Jiyun Liang, Shengyao Ai, Mengze Wang, Guo Ji, Lin ACS Omega [Image: see text] A new method is proposed for the reduction mechanism used in the low-temperature negative temperature coefficient region on the basis of the statistical degree screening (SDS) method. Dynamic information is used to redefine network structure and exclude the influence of very weak interactions on node degree according to the statistics character of their distribution as edge weight. Representative low-temperature conditions are used to set weight thresholds to redefine the network structure so that an effective low-temperature oxidation mechanism is covered while negligible interactions are overlooked. Then, the reduction mechanism is obtained by the SDS method through screening out the redundant species and corresponding reactions according to the scale-free character of the degree distribution. This weighted network degree screening (WNDS) method is demonstrated in the n-heptane system. The performance of the reduced mechanism is evaluated in a closed homogeneous reactor for the fuel over T = 600–1000 K, P = 1–30 atm, and φ = 0.5–2. Results show WNDS yields a skeletal mechanism with comparable or even better prediction ability over a wide parameter range than those generated by directed relation graph. WNDS is a novel statistical property-based reduction method that is suitable for low-temperature oxidation reduction. Its good reduction application indicates a brand-new angle for large combustion mechanism reduction. American Chemical Society 2023-04-21 /pmc/articles/PMC10157667/ /pubmed/37151494 http://dx.doi.org/10.1021/acsomega.3c00564 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle He, Jiyun
Liang, Shengyao
Ai, Mengze
Wang, Guo
Ji, Lin
Weighted Network Degree Screening Method for Low-Temperature Combustion Mechanism Reduction
title Weighted Network Degree Screening Method for Low-Temperature Combustion Mechanism Reduction
title_full Weighted Network Degree Screening Method for Low-Temperature Combustion Mechanism Reduction
title_fullStr Weighted Network Degree Screening Method for Low-Temperature Combustion Mechanism Reduction
title_full_unstemmed Weighted Network Degree Screening Method for Low-Temperature Combustion Mechanism Reduction
title_short Weighted Network Degree Screening Method for Low-Temperature Combustion Mechanism Reduction
title_sort weighted network degree screening method for low-temperature combustion mechanism reduction
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10157667/
https://www.ncbi.nlm.nih.gov/pubmed/37151494
http://dx.doi.org/10.1021/acsomega.3c00564
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