Development of a reduced kinetic chemical mechanism of gasoline surrogate containing alcohols and pentenes

•The chemical mechanism of the pentene isomers is reduced.•A surrogate fuel mechanism involving pentenes and alcohols is developed.•JSR experiments are carried out to verify the mechanism.•The mechanism is verified by the ignition delay time and laminar flame velocity. Based on the methods of DRGEP,...

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Veröffentlicht in:Fuel (Guildford) 2023-04, Vol.338, p.127181, Article 127181
Hauptverfasser: Zhang, Zhisong, Wang, Hu, Feng, Hongqing, Ma, Ruixiu, Zhong, Xin
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Sprache:eng
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Zusammenfassung:•The chemical mechanism of the pentene isomers is reduced.•A surrogate fuel mechanism involving pentenes and alcohols is developed.•JSR experiments are carried out to verify the mechanism.•The mechanism is verified by the ignition delay time and laminar flame velocity. Based on the methods of DRGEP, FSSA, reaction path analysis, and sensitivity analysis, the detailed mechanisms of 1-pentene, 2-pentene, and 2-methyl-2-butene are comprehensively reduced and combined with the mechanisms of TRF, methanol, ethanol, and n-butanol. A reduced mechanism of multi-component is proposed to predict gasoline combustion in the engine. It is rare in previous study about mechanisms of surrogate fuels that used pentene to represent unsaturated hydrocarbons, which is the most abundant olefin in actual gasoline in China. JSR experiments were carried out on the mixed fuels of isooctane/methanol/n-butanol and isooctane/1-pentene with different equivalence ratios under the condition of 1.03 atm and temperature range from 500 K∼1000 K, and the component concentration curves were obtained. The accuracy of the multi-component reduced mechanism is verified by JSR experimental data. The results showed that this mechanism could well fit the concentration curve of reactants and final reaction products, and showed the same change trend for intermediate products. The accuracy of the pentene mechanism is verified by the experimental data of ignition delay time and laminar flame velocity. The prediction of the ignition delay time of pentenes is accurate in the middle and high temperature regions, and the prediction in the low temperature region is slightly lower than that of the detailed mechanism, but it can predict the trend of ignition delay time and reflect the low temperature reaction properties of them. The simulated values of 1-pentene can well fit the experimental data of laminar flame velocity under various working conditions, and the difference in laminar flame velocity of three isomerides is also well reflected in this mechanism. The ignition delay time of multi-component mixtures was verified under different pressures by using the mixed fuels of G-A, G-B, and G-C. The results show that this mechanism can predict the ignition delay time of G-A and G-B more accurately under pressure of 20 atm, but the predicted values are lower under 50 atm pressure. Under the pressure of 10 atm, 30 atm, and 50 atm, the ignition delay time of this mechanism can well fit the experimental data of G
ISSN:0016-2361
1873-7153
DOI:10.1016/j.fuel.2022.127181