Browsing School of Chemistry by Author "Wang, Quan-De"
Now showing items 1-4 of 4
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Comparative chemical kinetic analysis and skeletal mechanism generation for syngas combustion with NOx chemistry
Wang, Quan-De; Sun, Yanjin; Curran, Henry J. (American Chemical Society, 2019-12-09)Emission of nitrogen oxides (NOx) are one of the major environmental concerns arising from the combustion of syngas. Strategies to reduce emission and improve the efficiency of syngas combustion can be developed using ... -
Development of multipurpose skeletal core combustion chemical kinetic mechanisms
Wang, Quan-De; Panigrahy, Snehasish; Yang, Shiyou; Martinez, Sergio; Liang, Jinhu; Curran, Henry J. (American Chemical Society, 2021-03-25)Core combustion kinetic mechanisms for small C0¿C4 fuel molecules are not only of the utmost importance in understanding their individual combustion properties but are also the foundation for the development of kinetic ... -
An experimental and detailed kinetic modeling study of the pyrolysis and oxidation of allene and propyne over a wide range of conditions
Panigrahy, Snehasish; Liang, Jinhu; Kumer Ghosh, Manik; Wang, Quan-De; Zuo, Zhaohong; Nagaraja, Shashank; El-SaborMohamed, A. Abd; Kim, Gihun; Vasu, Subith S.; Curran, Henry J. (Elsevier, 2021-07-27)Allene and propyne are important intermediates in the pyrolysis and oxidation of higher hydrocarbon fuels, and they are also a major source of propargyl radical formation, which can recombine into different C 6 H 6 isomers ... -
Hindered rotor benchmarks for the transition states of free radical additions to unsaturated hydrocarbons
Sun, Yanjin; Somers, Kieran P.; Wang, Quan-De; Farrell, Caoimhe; Curran, Henry J. (Royal Society of Chemistry, 2020-11-03)The hindered internal rotors of 32 transition states (TSs) formed through four free radicals, namely methyl, vinyl, ethyl, methoxy (CH3, C2H3, C2H5, CH3) additions to acetylene, ethylene, allene, propyne, and propene ...