A shock tube study of C4–C6 straight chain alkenes + OH reactions
KAUST DepartmentChemical Kinetics & Laser Sensors Laboratory
Clean Combustion Research Center
Mechanical Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2016-06-28
Print Publication Date2017
Permanent link to this recordhttp://hdl.handle.net/10754/627022
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AbstractAlkenes are known to be good octane boosters and they are major components of commercial fuels. Detailed theoretical calculations and direct kinetic measurements of elementary reactions of alkenes with combustion radicals are scarce for C4 alkenes and they are practically absent for C5 and larger alkenes. The overall rate coefficients for the reaction of OH radical with 1-butene (CH CHCH CH, k ), 1-pentene (CH CHCH CH-CH, k ), cis/trans 2-pentene (CH CHCHCH CH, k and k ), 1-hexene (CH CHCH CH CH CH, k ) and cis/trans 2-hexene (CH CHCHCH CH CH, k and k ) were measured behind reflected shock waves over the temperature range of 833-1377K and pressures near 1.5atm. The reaction progress was followed by measuring mole fraction of OH radicals near 306.7nm using UV laser absorption technique. It is found that the rate coefficients of OH+trans-2-alkenes are larger than those of OH+cis-2-alkenes, followed by OH+1-alkenes. The derived Arrhenius expressions for the overall rate coefficients (in cm.mol.s) are:. kI=(4.83±0.03)104.T2.72±0.01.exp(940.8±2.9cal/molRT)(946K-1256K) + kII=(5.66±0.54)10-1.T4.14±0.80.exp(4334±227cal/molRT)(875K-1379K) + kIII=(3.25±0.12)104.T2.76±0.5.exp(1962±83cal/molRT)(877K-1336K) + kIV=(3.42±0.09)104.T2.76±0.5.exp(1995±59cal/molRT)(833K-1265K) + kV=(7.65±0.58)10-4.T5±1.exp(5840±175cal/molRT)(836K-1387K) + kVI=(2.58±0.06)106.T2.17±0.37.exp(1461±55cal/molRT)(891K-1357K) + kVII=(3.08±0.05)106.T2.18±0.37.exp(1317±38cal/molRT)(881K-1377K) +
CitationKhaled F, Badra J, Farooq A (2017) A shock tube study of C4–C6 straight chain alkenes + OH reactions . Proceedings of the Combustion Institute 36: 289–298. Available: http://dx.doi.org/10.1016/j.proci.2016.06.029.
SponsorsWe would like to acknowledge the funding support from Saudi Aramco under the FUELCOM program and by King Abdullah University of Science and Technology (KAUST). The authors are also thankful to Dr. Binod Raj Giri (Research Scientist at KAUST) for chemical kinetics insights and discussions.