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Shock tube and modeling study of 1,3‐butadiene pyrolysis
Author(s) -
Hidaka Yoshiaki,
Higashihara Tetsuo,
Ninomiya Natsuhiko,
Masaoka Hiromitsu,
Nakamura Takuji,
Kawano Hiroyuki
Publication year - 1996
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/(sici)1097-4601(1996)28:2<137::aid-kin9>3.0.co;2-w
Subject(s) - chemistry , shock tube , pyrolysis , isomerization , 1,3 butadiene , mass spectrometry , decomposition , yield (engineering) , analytical chemistry (journal) , shock wave , organic chemistry , thermodynamics , chromatography , catalysis , physics
1,3‐Butadiene (1,3‐C 4 H 6 ) was heated behind reflected shock waves over the temperature range of 1200–1700 K and the total density range of 1.3 × 10 −5 −2.9 × 10 −5 mol/cm 3 . Reaction products were analyzed by gas‐chromatography. The concentration change of 1,3‐butadiene was followed by UV kinetic absorption spectroscopy at 230 nm and by quadrupole mass spectrometry. The major products were C 2 H 2 , C 2 H 4, C 4 H 4 , and CH 4 . The yield of CH 4 for a 0.5% 1,3‐C 4 H 6 in Ar mixture was more than 10% of the initial 1.3‐C 4 H 6 concentration above 1500 K. In order to interpret the formation of CH 4 successfully, it was necessary to include the isomerization of 1,3‐C 4 H 6 to 1,2‐butadiene (1,2‐C 4 H 6 ) and to include subsequent decomposition of the 1,2‐C 4 H 6 to C 3 H 3 and CH 3 . The present data and other shock tube data reported over a wide pressure range were qualitatively modeled with a 89 reaction mechanism, which included the isomerizations of 1,3‐C 4 H 6 to 1,2‐C 4 H 6 and 2‐butyne (2‐C 4 H 6 ). © 1996 John Wiley & Sons, Inc.