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Citation:
　Liping Yang,Rui Wang,Ali Zare,et al.Development of a Reduced Chemical Reaction Kinetic Mechanism with Cross-Reactions of Diesel/Biodiesel Fuels[J].Journal of Marine Science and Application,2025,(3):619-633.[doi:10.1007/s11804-025-00634-3]
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Development of a Reduced Chemical Reaction Kinetic Mechanism with Cross-Reactions of Diesel/Biodiesel Fuels

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Title:
Development of a Reduced Chemical Reaction Kinetic Mechanism with Cross-Reactions of Diesel/Biodiesel Fuels
Author(s):
Liping Yang1;  Rui Wang1;  Ali Zare2;  Jacek Hunicz3;  Timothy A. Bodisco4;  Richard J. Brown4
Affilations:
Author(s):
Liping Yang1;  Rui Wang1;  Ali Zare2;  Jacek Hunicz3;  Timothy A. Bodisco4;  Richard J. Brown4
1. College of Power and Energy Engineering, Harbin Engineering University, Harbin, 150001, China;
2. School of Engineering, Deakin University, Victoria, 3217, Australia;
3. College of Mechanical Engineering, Lublin University of Technology, Lublin, 20-618, Poland;
4. Biofuel Engine Research Facility, Queensland University of Technology, Queensland, 4072, Australia
Keywords:
Marine engines and fuels; Renewable energy; Biodiesel; Diesel; Reduced mechanism; Cross-reactions
分类号:
-
DOI:
10.1007/s11804-025-00634-3
Abstract:
Biodiesel is a clean and renewable energy, and it is an effective measure to optimize engine combustion fueled with biodiesel to meet the increasingly strict toxic and CO2 emission regulations of internal combustion engines. A suitable-scale chemical kinetic mechanism is very crucial for the accurate and rapid prediction of engine combustion and emissions. However, most previous researchers developed the mechanism of blend fuels through the separate simplification and merging of the reduced mechanisms of diesel and biodiesel rather than considering their cross-reaction. In this study, a new reduced chemical reaction kinetics mechanism of diesel and biodiesel was constructed through the adoption of directed relationship graph (DRG), directed relationship graph with error propagation, and full-species sensitivity analysis (FSSA). N-heptane and methyl decanoate (MD) were selected as surrogates of traditional diesel and biodiesel, respectively. In this mechanism, the interactions between the intermediate products of both fuels were considered based on the cross-reaction theory. Reaction pathways were revealed, and the key species involved in the oxidation of n-heptane and MD were identified through sensitivity analyses. The reduced mechanism of n-heptane/MD consisting of 288 species and 800 reactions was developed and sufficiently verified by published experimental data. Prediction maps of ignition delay time were established at a wide range of parameter matrices (temperature from 600 to 1 700 K, pressure from 10 bar to 80 bar, equivalence ratio from 0.5 to 1.5) and different substitution ratios to identify the occurrence regions of the cross-reaction. Concentration and sensitivity analyses were then conducted to further investigate the effects of cross-reactions. The results indicate temperature as the primary factor causing cross-reactivity. In addition, the reduced mechanism with cross-reactions was more accurate than that without cross-reactions. At 700-1 000 K, the cross-reactions inhibited the consumption of n-heptane/MD, which resulted in a prolonged ignition delay time. At this point, the elementary reaction, NC7H16+OH<=>C7H15-2+H2O, played a dominant role in fuel consumption. Specifically, the contribution of the MD consumption reaction to ignition decreased, and the increased generation time of OH, HO2, and H2O2 was directly responsible for the increased ignition delay.

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Memo

Memo:
Received date:2023-12-27;Accepted date:2024-5-4。
Foundation item:Supported by the National Natural Science Foundation of China (Grant No. 52171298), the National Foreign Experts Program (G2023180006L), the Natural Science Foundation of Heilongjiang Province of China (Grant No. ZD2019E003) and the Fundamental Research Funds for the Central Universities (Grant No. 3072022TS 0303).
Corresponding author:Liping Yang,E-mail:yangliping302@hrbeu.edu.cn
Last Update: 2025-05-28