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Development of a Skeletal Mechanism of a Four-Component Diesel Surrogate Fuel Using the Decoupling Method

[Image: see text] Alkylcyclohexanes with a long alkyl chain account for more than 30% of diesel fuel but seldom used in the oxidation mechanism of diesel surrogate fuel due to the lack of a reduced skeletal mechanism. Hence, a four-component diesel surrogate fuel was developed with n-butylcyclohexan...

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Autores principales: Sun, Chenghan, Shi, Zhongjie, Li, Yikai, Lou, Yue, Wei, Gaoran, Yang, Ziming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10552480/
https://www.ncbi.nlm.nih.gov/pubmed/37810733
http://dx.doi.org/10.1021/acsomega.3c01540
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author Sun, Chenghan
Shi, Zhongjie
Li, Yikai
Lou, Yue
Wei, Gaoran
Yang, Ziming
author_facet Sun, Chenghan
Shi, Zhongjie
Li, Yikai
Lou, Yue
Wei, Gaoran
Yang, Ziming
author_sort Sun, Chenghan
collection PubMed
description [Image: see text] Alkylcyclohexanes with a long alkyl chain account for more than 30% of diesel fuel but seldom used in the oxidation mechanism of diesel surrogate fuel due to the lack of a reduced skeletal mechanism. Hence, a four-component diesel surrogate fuel was developed with n-butylcyclohexane (NBCH) as the representative of alkylcyclohexanes with a long alkyl chain in real diesel. The surrogate fuel can reproduce the physicochemical characteristics of real diesel, especially the distillation range. The reduced mechanism of NBCH was developed, and the skeletal mechanism of the surrogate fuel was formulated including 80 species and 251 reactions based on the decoupling method. The mechanism was validated under a wide range of conditions with the experimental results of ignition delay time (IDT), laminar flame speed, and species concentrations of both pure components and diesel. The accuracy of the mechanism on the spray and ignition performance was further validated against the experimental data obtained in a constant volume combustion chamber system. The calculated results showed a satisfactory agreement, in which the maximum error of flame lift-off length is 7.82 mm and that of IDTs is 0.16 ms. It was proven that the mechanism is suitable to reproduce the physicochemical properties of diesel and further predict the diesel spray and ignition performance.
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spelling pubmed-105524802023-10-06 Development of a Skeletal Mechanism of a Four-Component Diesel Surrogate Fuel Using the Decoupling Method Sun, Chenghan Shi, Zhongjie Li, Yikai Lou, Yue Wei, Gaoran Yang, Ziming ACS Omega [Image: see text] Alkylcyclohexanes with a long alkyl chain account for more than 30% of diesel fuel but seldom used in the oxidation mechanism of diesel surrogate fuel due to the lack of a reduced skeletal mechanism. Hence, a four-component diesel surrogate fuel was developed with n-butylcyclohexane (NBCH) as the representative of alkylcyclohexanes with a long alkyl chain in real diesel. The surrogate fuel can reproduce the physicochemical characteristics of real diesel, especially the distillation range. The reduced mechanism of NBCH was developed, and the skeletal mechanism of the surrogate fuel was formulated including 80 species and 251 reactions based on the decoupling method. The mechanism was validated under a wide range of conditions with the experimental results of ignition delay time (IDT), laminar flame speed, and species concentrations of both pure components and diesel. The accuracy of the mechanism on the spray and ignition performance was further validated against the experimental data obtained in a constant volume combustion chamber system. The calculated results showed a satisfactory agreement, in which the maximum error of flame lift-off length is 7.82 mm and that of IDTs is 0.16 ms. It was proven that the mechanism is suitable to reproduce the physicochemical properties of diesel and further predict the diesel spray and ignition performance. American Chemical Society 2023-09-20 /pmc/articles/PMC10552480/ /pubmed/37810733 http://dx.doi.org/10.1021/acsomega.3c01540 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 Sun, Chenghan
Shi, Zhongjie
Li, Yikai
Lou, Yue
Wei, Gaoran
Yang, Ziming
Development of a Skeletal Mechanism of a Four-Component Diesel Surrogate Fuel Using the Decoupling Method
title Development of a Skeletal Mechanism of a Four-Component Diesel Surrogate Fuel Using the Decoupling Method
title_full Development of a Skeletal Mechanism of a Four-Component Diesel Surrogate Fuel Using the Decoupling Method
title_fullStr Development of a Skeletal Mechanism of a Four-Component Diesel Surrogate Fuel Using the Decoupling Method
title_full_unstemmed Development of a Skeletal Mechanism of a Four-Component Diesel Surrogate Fuel Using the Decoupling Method
title_short Development of a Skeletal Mechanism of a Four-Component Diesel Surrogate Fuel Using the Decoupling Method
title_sort development of a skeletal mechanism of a four-component diesel surrogate fuel using the decoupling method
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10552480/
https://www.ncbi.nlm.nih.gov/pubmed/37810733
http://dx.doi.org/10.1021/acsomega.3c01540
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