Experimental and kinetic modeling study of i-butanol pyrolysis and combustion

被引:52
作者
Cai, Jianghuai [1 ]
Yuan, Wenhao [2 ]
Ye, Lili [1 ]
Cheng, Zhanjun [1 ]
Wang, Yizun [2 ]
Dong, Weile [1 ]
Zhang, Lidong [1 ]
Li, Yuyang [2 ]
Zhang, Feng [1 ]
Qi, Fei [1 ]
机构
[1] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China
[2] Univ Sci & Technol China, State Key Lab Fire Sci, Hefei 230026, Anhui, Peoples R China
关键词
i-Butanol; Pyrolysis; Kinetic modeling; Theoretical calculation; Unimolecular reactions; VUV photoionization mass spectrometry; ISO-BUTANOL; MULTISPECIES MEASUREMENTS; SHOCK-TUBE; N-BUTANOL; CHEMISTRY; DECOMPOSITION; ISOBUTANOL; OXIDATION; ISOMERS; PARAMETERS;
D O I
10.1016/j.combustflame.2014.02.004
中图分类号
O414.1 [热力学];
学科分类号
070201 [理论物理];
摘要
i-Butanol (iC(4)H(9)OH) pyrolysis has been studied in a flow reactor with synchrotron vacuum ultraviolet photoionization mass spectrometry combined with molecular-beam sampling technique. The pyrolysis species were identified and their mole fractions were determined. Three pressures of 30, 150 and 760 Torr were selected to study the pressure effect of i-butanol chemistry. A detailed kinetic model consisting of 186 species and 1294 reactions was developed to simulate i-butanol high temperature chemistry. To enhance the accuracy, the model was further validated by the species profiles in shock tube pyrolysis, laminar premixed flames, oxidation data from jet-stirred reactor, ignition delay times, and flame speeds. Good agreement between the predicted and measured results was obtained. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
引用
收藏
页码:1955 / 1971
页数:17
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