文献类型：期刊文献

英文题名：Comprehensive Comparison of the Combustion Behavior for Low-Temperature Combustion of n-Nonane

作者：Guo, Junjiang Peng, Weijun Zhang, Shijie Lei, Jiazhi Jing, Jiantong Xiao, Ruyi Tang, Shiyun

第一作者：Guo, Junjiang;郭俊江

通信作者：Guo, Junjiang|[14440ee115ac10edc087a]郭俊江;

机构：[1] School of Chemical Engineering, Guizhou Institute of Technology, Guiyang, 550003, China; [2] Guizhou Provincial Key Laboratory of Energy Chemistry, Guiyang, 550003, China

第一机构：贵州理工学院化学工程学院

通信机构：School of Chemical Engineering, Guizhou Institute of Technology, Guiyang, 550003, China|贵州理工学院化学工程学院;贵州理工学院;

年份：2020

卷号：5

期号：10

起止页码：4924-4936

外文期刊名：ACS Applied Materials and Interfaces

收录：EI(收录号：20201208312582);Scopus(收录号：2-s2.0-85163843370)

语种：英文

外文关键词：Hydrocarbons - Numerical models - Temperature - Regression analysis - Fuels - Sensitivity analysis

摘要：To meet the increasing need for clean combustion, improve the combustion efficiency of fuels, and reduce the pollutants produced in the combustion process, it is necessary to systematically study the combustion of hydrocarbon fuels. An accurate and detailed chemical kinetic model is an important prerequisite for understanding the combustion performance of hydrocarbon fuels and studying complex chemical reaction networks. Therefore, based on ReaxGen, new detailed mechanisms for the low-temperature combustion of n-nonane are proposed and verified in detail in this study. Meanwhile, some international mainstream combustion models such as the LLNL model and the JetSurf 2.0 model are compared with ours, showing that the proposed new mechanisms can better predict the ignition delay combustion characteristics of n-nonane, and they also hold in a wide range of conditions. In addition, the numerical simulation results of the concentration curve calculated for the new mechanisms, especially Model v2, are in good agreement with the experimental data, and the mechanisms can reproduce the performance of the negative-temperature-coefficient behavior toward n-nonane ignition. The numerical simulation results of the laminar flame propagation velocity varying with the equivalence ratio are also in good agreement with the available experimental data. Finally, the ignition delay sensitivity of n-nonane is analyzed by the sensitivity analysis method; the key reactions affecting the ignition mechanism are investigated; and the reaction path analysis is conducted to better understand the models' predicted performance. In a word, the new mechanisms are helpful to understand the ignition properties of large hydrocarbon fuels for high-speed aircrafts. Copyright ? 2020 American Chemical Society.