Rate Coefficients of the Reaction of OH with Allene and Propyne at High Temperatures

Handle URI:
http://hdl.handle.net/10754/622454
Title:
Rate Coefficients of the Reaction of OH with Allene and Propyne at High Temperatures
Authors:
Es-sebbar, Et-touhami; Khaled, Fathi; Elwardani, Ahmed Elsaid ( 0000-0002-2536-2089 ) ; Farooq, Aamir ( 0000-0001-5296-2197 )
Abstract:
Allene (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.
KAUST Department:
Clean Combustion Research Center; Physical Sciences and Engineering (PSE) Division
Citation:
Es-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.
Publisher:
American Chemical Society (ACS)
Journal:
The Journal of Physical Chemistry A
Issue Date:
28-Sep-2016
DOI:
10.1021/acs.jpca.6b04387
Type:
Article
ISSN:
1089-5639; 1520-5215
Sponsors:
Research reported in this paper was supported by the King Abdullah University of Science and Technology (KAUST) and by Saudi Aramco under the FUELCOM program.
Additional Links:
http://pubs.acs.org/doi/full/10.1021/acs.jpca.6b04387
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorEs-sebbar, Et-touhamien
dc.contributor.authorKhaled, Fathien
dc.contributor.authorElwardani, Ahmed Elsaiden
dc.contributor.authorFarooq, Aamiren
dc.date.accessioned2017-01-02T09:28:32Z-
dc.date.available2017-01-02T09:28:32Z-
dc.date.issued2016-09-28en
dc.identifier.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.en
dc.identifier.issn1089-5639en
dc.identifier.issn1520-5215en
dc.identifier.doi10.1021/acs.jpca.6b04387en
dc.identifier.urihttp://hdl.handle.net/10754/622454-
dc.description.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.en
dc.description.sponsorshipResearch reported in this paper was supported by the King Abdullah University of Science and Technology (KAUST) and by Saudi Aramco under the FUELCOM program.en
dc.publisherAmerican Chemical Society (ACS)en
dc.relation.urlhttp://pubs.acs.org/doi/full/10.1021/acs.jpca.6b04387en
dc.titleRate Coefficients of the Reaction of OH with Allene and Propyne at High Temperaturesen
dc.typeArticleen
dc.contributor.departmentClean Combustion Research Centeren
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalThe Journal of Physical Chemistry Aen
dc.contributor.institutionLaboratory for Thermal Processes & Combustion, Paul Scherrer Institute (PSI), CH-5232 Villigen PSI, Switzerlanden
dc.contributor.institutionMechanical Engineering Department, Faculty of Engineering, Alexandria University, Alexandria 21544, Egypten
kaust.authorEs-sebbar, Et-touhamien
kaust.authorKhaled, Fathien
kaust.authorElwardani, Ahmed Elsaiden
kaust.authorFarooq, Aamiren
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