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Thermal decomposition of 1,2 butadiene
Author(s) -
Kern R. D.,
Singh H. J.,
Wu C. H.
Publication year - 1988
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.550200907
Subject(s) - chemistry , pyrolysis , thermal decomposition , isomerization , benzene , decomposition , toluene , atmospheric temperature range , 1,3 butadiene , mass spectrometry , analytical chemistry (journal) , shock wave , photochemistry , organic chemistry , thermodynamics , catalysis , chromatography , physics
The thermal decomposition of 1,2 butadiene has been studied behind reflected shock waves over the temperature and total pressure ranges of 1300–2000 K and 0.20–0.55 atm using mixtures of 3% and 4.3% 1,2 butadiene in Ne. The major products of the pyrolysis are C 2 H 2 , C 4 H 2 , C 2 H 4 , CH 4 and C 6 H 6 . Toluene was observed as a minor product in a narrow temperature range of 1500–1700 K. In order to model successfully the product profiles which were obtained by time‐of‐flight mass spectrometry, it was necessary to include the isomerization reaction of 1,2 to 1,3 butadiene. A reaction mechanism consisting of 74 reaction steps and 28 species was formulated to model the time and temperature dependence of major products obtained during the course of decomposition. The importance of C 3 H 3 in the formation of benzene is demonstrated.