J. H. Cai, W. H. Yuan, L. L. Ye, Z. J. Cheng, Y. Z. Wang, W. L. Dong, L. D. Zhang, Y. Y. Li, F. Zhang and F. Qi (2014) Experimental and kinetic modeling study of i-butanol pyrolysis and combustion. Journal/Combustion And Flame 161 1955-1971. [In English]
Web link: http://dx.doi.org/10.1016/j.combustflame.2014.02.004
Keywords: i-Butanol; Pyrolysis; Kinetic modeling; Theoretical calculation; Unimolecular reactions; VUV photoionization mass spectrometry; SYNCHROTRON VUV PHOTOIONIZATION; REFLECTED SHOCK-WAVES; ISO-BUTANOL; MULTISPECIES MEASUREMENTS; MASS-SPECTROMETRY; LOW-PRESSURE; N-BUTANOL; ISOMERS; DECOMPOSITION; CHEMISTRY

Abstract: 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.