Shock tube and modeling study of 1,3-butadiene pyrolysis

✍ Scribed by Yoshiaki Hidaka; Tetsuo Higashihara; Natsuhiko Ninomiya; Hiromitsu Masaoka; Takuji Nakamura; Hiroyuki Kawano

• Publisher: John Wiley and Sons
• Year: 1996
• Tongue: English
• Volume: 28
• Category: Article
• ISSN: 0538-8066
• DOI: 10.1002/(sici)1097-4601(1996)28:2<137::aid-kin9>3.0.co;2-w

✦ Synopsis

I .3-Butadiene ( I .3-C4H6) was heated behind reflected shock waves over the temperature range of 1200-I700 K and the total density range of 1.3 X 10-5-2.9 X lo-' mol/cm' Reaction products were analyzed by gas-chromatography. The concentration change of I .3-butadiene was Followed by U V kinetic absorption spectroscopy at 230 nm and by quadrupole mass spectrometry The major products were CzH2, C2H4, C4H4, and CHI. The yield of CHI for a 0 5% 1.3-C4H6 in Ar mixture was more than 10% of the initial 1.3-C4H6 concentration above 1500 K In order to interpret the Formation of CH4 successfully, it was necessary to include the isomerization of 1 ,3-C4H6 to I ,2-butadiene [ 1 ,2-C4H6) and to include subsequent decomposition of the 1.2-CdH6 to C3H3 and CH3. 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 I .3-C4H6 t o 1 .2-C4H6 and 2-butyne (2-C4H6)