Zhang YJ, Cai JH, Zhao L, Yang JZ, Jin HF, Cheng ZJ, Li YY, Zhang LD, Qi F (2012) An experimental and kinetic modeling study of three butene isomers pyrolysis at low pressure. Combustion And Flame 159(3), 905-917. [In English]
Web link: http://dx.doi.org/10.1016/j.combustflame.2011.09.005
Keywords: Butene isomers; Pyrolysis; PAH; Soot; Synchrotron VUV photoionization; mass; spectrometry; Kinetic model; light unsaturated-hydrocarbons; shock-tube; high-temperature; flow; reactor; 1-hexene oxidation; laminar flames; isobutene; decomposition; combustion; propyne
Abstract: Pyrolysis of three butene isomers (C4H8) including 1-butene (1-C4H8), 2-butene (2-C4H8) and i-butene (iC(4)H(8)) were studied from 900 to 1900 K at low pressure. Synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry with molecular-beam sampling technique was used for isomeric identification of products and intermediates and also for concentration measurement. Based on the experimental results, a kinetic model consisting of 76 species and 232 reactions was developed to simulate mole fractions of species. The mole fraction profiles of pyrolysis species predicted by the model are in good agreement with the experimental measurements. The decomposition pathways of C4H8 are illustrated according to the reaction flux analysis. Our analysis demonstrates that reaction sequences 1-C4H8 -> aC(3)H(5) -> aC(3)H(4) -> pC(3)H(4) -> C2H2, -> 2-C4H8 -> saxC(4)H(7) -> 1,3-C4H6 -> C2H3 -> C2H2 and iC(4)H(8) -> iC(4)H(8) -> iC(4)H(7) -> aC(3)H(4) -> pC(3)H(4) -> C2H2 are the major decomposition pathways of 1-butene, 2-butene and i-butene, respectively. (C) 2011 The Combustion Institute. Published by Elsevier Inc. All rights reserved.