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Development and validation of a reduced multi-component mechanism for diesel engine application

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Listed:
  • Huang, Haozhong
  • Lv, Delin
  • Chen, Yingjie
  • Zhu, Jizhen
  • Zhu, Zhaojun
  • Pan, Mingzhang
  • Chen, Yajuan
  • Teng, Wenwen

Abstract

Aromatics and cycloalkanes which play important roles in soot formation, are two important components in diesel. This work constructed a reduced multi-component mechanism of n-heptane–n-butylbenzene (BBZ)– methylcyclohexane (MCH)–polycyclic aromatic hydrocarbon (PAH) with 183 species and 777 reactions for diesel engine emissions and combustion prediction. Based on the reduced mechanism of n-heptane–BBZ–PAH, this multi-component diesel mechanism was constructed by merging the reduced mechanism of MCH. First, the detailed mechanism of MCH was reduced based on the methods of direct relation graph with error propagation (DRGEP), sensitivity analysis, and rate of production (ROP) analysis. Next, some most important parameters of kinetics in the mechanism were optimized by sensitivity analysis method. Further, the simplified multi-component diesel mechanism was extensively validated using the experimental values of ignition delays, species concentrations, and laminar flame speeds. The developed mechanism provides favorable prediction results, indicating that it can be used for simulating the combustion of multiple components in diesel. Finally, the developed multi-component diesel mechanism was coupled with three-dimensional computational fluid dynamic (3D-CFD), and multidimensional numerical simulations were performed in a direct-injection compression ignition (DICI) engine at EGR = 0%, 13%, 27%, 37%. The prediction results well coincided with the experimental values of combustion characteristics and emissions of soot and NOx, indicating that this multi-component diesel mechanism could be applied for predicting practical engine simulations.

Suggested Citation

  • Huang, Haozhong & Lv, Delin & Chen, Yingjie & Zhu, Jizhen & Zhu, Zhaojun & Pan, Mingzhang & Chen, Yajuan & Teng, Wenwen, 2019. "Development and validation of a reduced multi-component mechanism for diesel engine application," Applied Energy, Elsevier, vol. 254(C).
    • Handle: RePEc:eee:appene:v:254:y:2019:i:c:s0306261919313285
    DOI: 10.1016/j.apenergy.2019.113641
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    References listed on IDEAS

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    1. Huang, Haozhong & Zhu, Jizhen & Lv, Delin & Wei, Yaopeng & Zhu, Zhaojun & Yu, Binbin & Chen, Yingjie, 2018. "Development of a reduced n-heptane-n-butylbenzene-polycyclic aromatic hydrocarbon (PAH) mechanism for engine combustion simulation and soot prediction," Energy, Elsevier, vol. 165(PB), pages 90-105.
    2. Li, Yu & Li, Hailin & Guo, Hongsheng & Li, Yongzhi & Yao, Mingfa, 2017. "A numerical investigation on methane combustion and emissions from a natural gas-diesel dual fuel engine using CFD model," Applied Energy, Elsevier, vol. 205(C), pages 153-162.
    3. Liu, Junheng & Sun, Ping & Huang, He & Meng, Jian & Yao, Xiaohua, 2017. "Experimental investigation on performance, combustion and emission characteristics of a common-rail diesel engine fueled with polyoxymethylene dimethyl ethers-diesel blends," Applied Energy, Elsevier, vol. 202(C), pages 527-536.
    4. Raza, Mohsin & Wang, Hu & Yao, Mingfa, 2019. "Numerical investigation of reactivity controlled compression ignition (RCCI) using different multi-component surrogate combinations of diesel and gasoline," Applied Energy, Elsevier, vol. 242(C), pages 462-479.
    5. Liu, Xinlei & Wang, Hu & Wang, Xiaofeng & Zheng, Zunqing & Yao, Mingfa, 2017. "Experimental and modelling investigations of the diesel surrogate fuels in direct injection compression ignition combustion," Applied Energy, Elsevier, vol. 189(C), pages 187-200.
    6. Liu, Yang & Tang, Chenglong & Zhan, Cheng & Wu, Yingtao & Yang, Meng & Huang, Zuohua, 2019. "Low temperature auto-ignition characteristics of methylcyclohexane/ethanol blend fuels: Ignition delay time measurement and kinetic analysis," Energy, Elsevier, vol. 177(C), pages 465-475.
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    8. Qian, Yong & Wu, Zhiyong & Guo, Jinjing & Li, Zilong & Jiang, Chenxu & Lu, Xingcai, 2019. "Experimental studies on the key parameters controlling the combustion and emission in premixed charge compression ignition concept based on diesel surrogates," Applied Energy, Elsevier, vol. 235(C), pages 233-246.
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    Cited by:

    1. Wang, Wenchao & Li, Fashe & Wang, Hua, 2023. "Numerical simulation study on the effect of different oxygen-enrichment atmospheres on diesel combustion," Energy, Elsevier, vol. 266(C).
    2. Liu, Xinlei & Wang, Hu & Zheng, Zunqing & Yao, Mingfa, 2021. "Development of a reduced primary reference fuel-PODE3-methanol-ethanol-n-butanol mechanism for dual-fuel engine simulations," Energy, Elsevier, vol. 235(C).
    3. Liu, Junheng & Ma, Haoran & Liang, Wenwen & Yang, Jun & Sun, Ping & Wang, Xidong & Wang, Yongxu & Wang, Pan, 2022. "Experimental investigation on combustion characteristics and influencing factors of PODE/methanol dual-fuel engine," Energy, Elsevier, vol. 260(C).

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