Photoionization mass spectrometry and modeling study of premixed flames of three unsaturated C₅H₈O₂ esters

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• 作者：B. Yang^a ; C.K. Westbrook^b ; ^{westbrookck@earthlink.net} ; T.A. Cool^a ; N. Hansen^c ; K. Kohse-Hö ; inghaus^d
• 关键词：Unsaturated esters ; C5H8O2 isomers ; Photoionization mass spectrometry ; Premixed flames
• 刊名：Proceedings of the Combustion Institute
• 出版年：2013
• 出版时间：2013
• 年：2013
• 卷：34
• 期：1
• 页码：443-451
• 全文大小：701 K

文摘

The detailed chemical structures of low-pressure premixed laminar flames fueled by three simple unsaturated C₅H₈O₂ esters, the methyl crotonate (MC), methyl methacrylate (MMA), and ethyl propenoate (EPE), are investigated using tunable synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry. Significant differences in the compositions of key reaction intermediates between these flames under similar flame conditions are observed. The results enable further refinement and validation of a detailed chemical kinetic reaction mechanism, which is largely based on a previous model for saturated esters. Detailed kinetic modeling describes how these differences are related to molecular structures, leading to unique fuel destruction pathways for each of these isomers. Meanwhile, the effect of carbon carbon double bonds on the combustion chemistry of small fatty acid esters is addressed.