2012
DOI: 10.1021/jp310256j
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Abstract: The overall rate constants for the reactions of hydroxyl radicals (OH) with four small methyl esters, namely methyl formate (CH(3)OCHO), methyl acetate (CH(3)OC(O)CH(3)), methyl propanoate (CH(3)OC(O)C(2)H(5)), and methyl butanoate (CH(3)OC(O)C(3)H(7)), were investigated behind reflected shock waves using UV laser absorption of OH radicals near 306.69 nm. Test gas mixtures of individual methyl esters and tert-butyl hydroperoxide (TBHP), a fast source of OH at elevated temperatures, diluted in argon were shock-… Show more

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Cited by 42 publications
(58 citation statements)
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References 47 publications
(154 reference statements)
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“…Initially, in the presence of Cs 2 CO 3 , the tert ‐butoxyl radical is formed from TBHP . Heating the tert ‐butoxyl radical can then lead to the formation a methyl radical along with the elimination of acetone . However, the tert ‐butoxyl radical could also trap a hydrogen atom from either the amino or amide group of the benzamide to form intermediate A or A′ .…”
Section: Resultsmentioning
confidence: 99%
“…Initially, in the presence of Cs 2 CO 3 , the tert ‐butoxyl radical is formed from TBHP . Heating the tert ‐butoxyl radical can then lead to the formation a methyl radical along with the elimination of acetone . However, the tert ‐butoxyl radical could also trap a hydrogen atom from either the amino or amide group of the benzamide to form intermediate A or A′ .…”
Section: Resultsmentioning
confidence: 99%
“…By contrast, the few existing theoretical and experimental studies of MP decomposition [21] and H-abstraction by OH [17,22] and HO 2 [23] exhibit large discrepancies between theory [17] and experiments [22] for H-abstraction rates by OH and in species profiles of MP pyrolysis [21] .…”
Section: Ab-initio Reaction Rate Calculations and Kinetics Modelingmentioning
confidence: 92%
“…Figure 7: total rate constant for OH+MP (blue) and OH+MB (red). Symbols: experimental data by Lam et al [51], solid line: POLIMI mechanism (MB) [47], dashed-dot line: Mendes et al [49] (MP and MB), dashed line: Tan et al [50] (MP).…”
Section: Methyl Butanoatementioning
confidence: 99%