Challenges and perspectives of combustion chemistry research  

作　　者：Wenhao Yuan Yuyang Li Fei Qi 

机构地区：[1]Key Laboratory for Power Machinery and Engineering of Ministry of Education,Shanghai Jiao Tong University,Shanghai 200240,China

出　　处：《Science China Chemistry》2017年第11期1391-1401,共11页中国科学（化学英文版）

基　　金：supported by the National Natural Science Foundation of China(91541201,91641205,51622605);the National Basic Research Program of China(2013CB834602);the National Postdoctoral Program for Innovative Talents(BX201600100);China Postdoctoral Science Foundation(2016M600312)

摘　　要：In the past decades, combustion chemistry research grew rapidly due to the development of combustion diagnostic methods,quantum chemistry methods, kinetic theory, and computational techniques. A lot of kinetic models have been developed for fuels from hydrogen to transportation fuel surrogates. Besides, multi-scale research method has been widely adopted to develop comprehensive models, which are expected to cover combustion conditions in real combustion devices. However, critical gaps still remain between the laboratory research and real engine application due to the insufficient research work on high pressure and low temperature combustion chemistry. Besides, there is also a great need of predictive pollutant formation model. Further development of combustion chemistry research depends on a closer interaction of combustion diagnostics, theoretical calculation and kinetic model development. This paper summarizes the recent progress in combustion chemistry research briefly and outlines the challenges and perspectives.In the past decades, combustion chemistry research grew rapidly due to the development of combustion diagnostic methods, quantum chemistry methods, kinetic theory, and computational techniques. A lot of kinetic models have been developed for fuels from hydrogen to transportation fuel surrogates. Besides, multi-scale research method has been widely adopted to develop comprehensive models, which are expected to cover combustion conditions in real combustion devices. However, critical gaps still remain between the laboratory research and real engine application due to the insufficient research work on high pressure and low temperature combustion chemistry. Besides, there is also a great need of predictive pollutant formation model. Further development of combustion chemistry research depends on a closer interaction of combustion diagnostics, theoretical calculation and kinetic model development. This paper summarizes the recent progress in combustion chemistry research briefly and outlines the challenges and perspectives.

关 键 词：combustion chemistry combustion diagnostics validation experiments quantum chemistry calculation rate constant calculation kinetic model 

分 类 号：O643.21[理学—物理化学]