KAUST DepartmentClean Combustion Research Center
Mechanical Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2018-06-28
Print Publication Date2019
Permanent link to this recordhttp://hdl.handle.net/10754/628282
MetadataShow full item record
AbstractThis work reports thermal decomposition of cyclopentanone behind reflected shock waves over 1150 - 1590 K and 750 - 1800 Torr. Carbon monoxide is one of the main reaction products and its formation was monitored using a quantum cascade laser operating near 4.56 μm. Our results show that cyclopentanone undergoes decomposition, under the present experimental conditions, via reaction channels that produce CO almost exclusively. A recent ab initio study by Zaras et al. revealed that cyclopentanone decomposes to produce CO and ethylene by two channels: ring-opening to form a di-radical which subsequently decomposes, and concerted elimination to produce CO and C 2 H 4 directly; their predicted rate constants are much slower than literature experimental data. To resolve the rate constant discrepancy and to determine whether keto- enol tautomerism plays a significant role, we performed master equation simulations which produced results in good agreement both with the previous ab initio study and with the experimental data obtained in the present work.
CitationGiri BR, AlAbbad M, Barker JR, Farooq A (2018) High temperature unimolecular decomposition of cyclopentanone. Proceedings of the Combustion Institute. Available: http://dx.doi.org/10.1016/j.proci.2018.05.076.
SponsorsResearch reported in this work was funded by King Abdullah University of Science and Technology (KAUST). JRB thanks the University of Michigan for partial support of this work.