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Stranic, I.* ; Pang, G.A. ; Hanson, R.K.* ; Golden, D.M.* ; Bowman, C.T.*

Shock tube measurements of the rate constant for the reaction ethanol + OH.

J. Phys. Chem. A 118, 822-828 (2014)
DOI PMC
Open Access Green möglich sobald Postprint bei der ZB eingereicht worden ist.
The overall rate constant for the reaction ethanol + OH → products was determined experimentally from 900 to 1270 K behind reflected shock waves. Ethan18ol was utilized for these measurements in order to avoid the recycling of OH radicals following H-atom abstraction at the β-site of ethanol. Similar experiments were also performed with unlabeled ethan 16ol in order to infer the rate constant that excludes reactivity at the β-site. The two data sets were used to directly infer the branching ratio for the reaction at the β-site. Experimental data in the current study and in previous low-temperature studies for the overall rate constant are best fit by the expression koverall = 5.07 × 105 T[K]2.31 exp(608/T[K]) cm3 mol-1 s -1, valid from 300 to 1300 K. Measurements indicate that the branching ratio of the β-site is between 20 and 25% at the conditions studied. Pseudo-first-order reaction conditions were generated using tert-butylhydroperoxide (TBHP) as a fast source of 16OH with ethanol in excess. 16OH mole fraction time-histories were measured using narrow-line width laser absorption near 307 nm. Measurements were performed at the linecenter of the R22(5.5) transition in the A-X(0,0) band of 16OH that does not overlap with any absorption features of 18OH, thus producing a measurement of the 16OH mole fraction that is insensitive to the presence of 18OH.
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Publikationstyp Artikel: Journalartikel
Dokumenttyp Wissenschaftlicher Artikel
Schlagwörter Gas-phase Reactions; Hydroxyl Radicals; Thermal-decomposition; Alcohols; Kinetics; Combustion; Oxidation; Methanol; C2h5oh; Series
ISSN (print) / ISBN 1089-5639
e-ISSN 1520-5215
Zeitschrift Journal of Physical Chemistry A
Quellenangaben Band: 118, Heft: 5, Seiten: 822-828 Artikelnummer: , Supplement: ,
Verlag American Chemical Society (ACS)
Verlagsort Washington
Begutachtungsstatus Peer reviewed
Institut(e) Institute of Biological and Medical Imaging (IBMI)