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Development of a Reduced Methane–Hydrogen–Polyoxymethylene Dimethyl Ether Mechanism under Engine-Relevant Conditions

[Image: see text] Polyoxymethylene dimethyl ethers (PODE(n)) have a high cetane number and a high oxygen content, which can effectively reduce the soot emission. In this study, PODE(3), methane, and hydrogen were used as the characterization fuel. First, the detailed reaction mechanism of PODE(3) an...

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Autores principales: Zhou, Weijian, Zhou, Song, Xi, Hongyuan, Shreka, Majed, Zhang, Zhao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8637598/
https://www.ncbi.nlm.nih.gov/pubmed/34869976
http://dx.doi.org/10.1021/acsomega.1c03763
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author Zhou, Weijian
Zhou, Song
Xi, Hongyuan
Shreka, Majed
Zhang, Zhao
author_facet Zhou, Weijian
Zhou, Song
Xi, Hongyuan
Shreka, Majed
Zhang, Zhao
author_sort Zhou, Weijian
collection PubMed
description [Image: see text] Polyoxymethylene dimethyl ethers (PODE(n)) have a high cetane number and a high oxygen content, which can effectively reduce the soot emission. In this study, PODE(3), methane, and hydrogen were used as the characterization fuel. First, the detailed reaction mechanism of PODE(3) and GRI-Mech 3.0 was reduced under engine-relevant conditions by using the reduced methods of the direct relation graph, the directed relation graph with error propagation, the sensitivity analysis, and the reaction pathway analysis. Then, the simplified PODE(3) and methane–hydrogen mechanism were coupled and optimized. Finally, the simplified chemical kinetics mechanism of methane–hydrogen–PODE(3) (67 species, 260 reactions) was developed. After that, the methane–hydrogen–PODE(3) mechanism for methane/hydrogen/PODE(3) blend combustion was established, and experimental verification was performed against ignition delay times, laminar flame speeds, and premixed flame species profiles, which showed a good agreement between the predicted and experimental data. Finally, the current mechanism was found to have high reliability and can be coupled to computational fluid dynamics.
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spelling pubmed-86375982021-12-03 Development of a Reduced Methane–Hydrogen–Polyoxymethylene Dimethyl Ether Mechanism under Engine-Relevant Conditions Zhou, Weijian Zhou, Song Xi, Hongyuan Shreka, Majed Zhang, Zhao ACS Omega [Image: see text] Polyoxymethylene dimethyl ethers (PODE(n)) have a high cetane number and a high oxygen content, which can effectively reduce the soot emission. In this study, PODE(3), methane, and hydrogen were used as the characterization fuel. First, the detailed reaction mechanism of PODE(3) and GRI-Mech 3.0 was reduced under engine-relevant conditions by using the reduced methods of the direct relation graph, the directed relation graph with error propagation, the sensitivity analysis, and the reaction pathway analysis. Then, the simplified PODE(3) and methane–hydrogen mechanism were coupled and optimized. Finally, the simplified chemical kinetics mechanism of methane–hydrogen–PODE(3) (67 species, 260 reactions) was developed. After that, the methane–hydrogen–PODE(3) mechanism for methane/hydrogen/PODE(3) blend combustion was established, and experimental verification was performed against ignition delay times, laminar flame speeds, and premixed flame species profiles, which showed a good agreement between the predicted and experimental data. Finally, the current mechanism was found to have high reliability and can be coupled to computational fluid dynamics. American Chemical Society 2021-11-18 /pmc/articles/PMC8637598/ /pubmed/34869976 http://dx.doi.org/10.1021/acsomega.1c03763 Text en © 2021 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 Zhou, Weijian
Zhou, Song
Xi, Hongyuan
Shreka, Majed
Zhang, Zhao
Development of a Reduced Methane–Hydrogen–Polyoxymethylene Dimethyl Ether Mechanism under Engine-Relevant Conditions
title Development of a Reduced Methane–Hydrogen–Polyoxymethylene Dimethyl Ether Mechanism under Engine-Relevant Conditions
title_full Development of a Reduced Methane–Hydrogen–Polyoxymethylene Dimethyl Ether Mechanism under Engine-Relevant Conditions
title_fullStr Development of a Reduced Methane–Hydrogen–Polyoxymethylene Dimethyl Ether Mechanism under Engine-Relevant Conditions
title_full_unstemmed Development of a Reduced Methane–Hydrogen–Polyoxymethylene Dimethyl Ether Mechanism under Engine-Relevant Conditions
title_short Development of a Reduced Methane–Hydrogen–Polyoxymethylene Dimethyl Ether Mechanism under Engine-Relevant Conditions
title_sort development of a reduced methane–hydrogen–polyoxymethylene dimethyl ether mechanism under engine-relevant conditions
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8637598/
https://www.ncbi.nlm.nih.gov/pubmed/34869976
http://dx.doi.org/10.1021/acsomega.1c03763
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