Rate Coefficients of the Reaction of OH with Allene and Propyne at High Temperatures
KAUST DepartmentChemical Kinetics & Laser Sensors Laboratory
Clean Combustion Research Center
Mechanical Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2016-10-07
Print Publication Date2016-10-20
Permanent link to this recordhttp://hdl.handle.net/10754/622454
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AbstractAllene (H2C═C═CH2; a-C3H4) and propyne (CH3C≡CH; p-C3H4) are important species in various chemical environments. In combustion processes, the reactions of hydroxyl radicals with a-C3H4 and p-C3H4 are critical in the overall fuel oxidation system. In this work, rate coefficients of OH radicals with allene (OH + H2C═C═CH2 → products) and propyne (OH + CH3C≡CH → products) were measured behind reflected shock waves over the temperature range of 843–1352 K and pressures near 1.5 atm. Hydroxyl radicals were generated by rapid thermal decomposition of tert-butyl hydroperoxide ((CH3)3–CO–OH), and monitored by narrow line width laser absorption of the well-characterized R1(5) electronic transition of the OH A–X (0,0) electronic system near 306.7 nm. Results show that allene reacts faster with OH radicals than propyne over the temperature range of this study. Measured rate coefficients can be expressed in Arrhenius form as follows: kallene+OH(T) = 8.51(±0.03) × 10–22T3.05 exp(2215(±3)/T), T = 843–1352 K; kpropyne+OH(T) = 1.30(±0.07) × 10–21T3.01 exp(1140(±6)/T), T = 846–1335 K.
CitationEs-sebbar E, Khaled F, Elwardany A, Farooq A (2016) Rate Coefficients of the Reaction of OH with Allene and Propyne at High Temperatures. The Journal of Physical Chemistry A 120: 7998–8005. Available: http://dx.doi.org/10.1021/acs.jpca.6b04387.
SponsorsResearch reported in this paper was supported by the King Abdullah University of Science and Technology (KAUST) and by Saudi Aramco under the FUELCOM program.
PublisherAmerican Chemical Society (ACS)