Direct kinetic study of the reaction of OH radicals with methyl-ethyl-ketone

Szabó, Emese; Zügner, Gábor L.; Szilágyi, István; Dóbé, Sándor; Bérces, T.; Márta, F.

doi:10.1007/s11144-008-5404-5

Cited by 3 publications

(3 citation statements)

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“…Well-obeyed straight line with zero intercept similar to those shown in Figures and was obtained also with the application of the methyl ethyl ketone reference reaction in the Teflon-reactor experiments supplying k 1 / k 3 = 1.79 ± 0.11 and k 1 = (1.95 ± 0.34) × 10 –12 cm 3 molecule –1 s –1 . The relative-rate plot obtained with the OH + MEK (3) reference reaction is presented as Figure SI-2 in the Supporting Information.…”

Section: Kinetic Results and Discussionsupporting

confidence: 79%

“…Linear least-squares analysis of the data plotted in Figure have supplied k 1 / k 3 = 1.89 ± 0.06. The rate coefficient ratio has been put to an absolute scale by taking k 3 = (1.09 ± 0.18) × 10 –12 cm 3 molecule –1 s –1 from ref to give k 1 = (2.06 ± 0.34) × 10 –12 cm 3 molecule –1 s –1 . (The rate coefficient value we use for the reference reaction agrees within 10% with those recommended by the IUPAC and JPL data evaluations. , )…”

Section: Kinetic Results and Discussionmentioning

confidence: 99%

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Atmospheric Chemistry of 2,3-Pentanedione: Photolysis and Reaction with OH Radicals

et al. 2011

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The kinetics of the overall reaction between OH radicals and 2,3-pentanedione (1) were studied using both direct and relative kinetic methods at laboratory temperature. The low pressure fast discharge flow experiments coupled with resonance fluorescence detection of OH provided the direct rate coefficient of (2.25 ± 0.44) × 10(-12) cm(3) molecule(-1) s(-1). The relative-rate experiments were carried out both in a collapsible Teflon chamber and a Pyrex reactor in two laboratories using different reference reactions to provide the rate coefficients of 1.95 ± 0.27, 1.95 ± 0.34, and 2.06 ± 0.34, all given in 10(-12) cm(3) molecule(-1) s(-1). The recommended value is the nonweighted average of the four determinations: k(1) (300 K) = (2.09 ± 0.38) × 10(-12) cm(3) molecule(-1) s(-1), given with 2σ accuracy. Absorption cross sections for 2,3-pentanedione were determined: the spectrum is characterized by two wide absorption bands between 220 and 450 nm. Pulsed laser photolysis at 351 nm was used and the depletion of 2,3-pentanedione (2) was measured by GC to determine the photolysis quantum yield of Φ(2) = 0.11 ± 0.02(2σ) at 300 K and 1000 mbar synthetic air. An upper limit was estimated for the effective quantum yield of 2,3-pentanedione applying fluorescent lamps with peak wavelength of 312 nm. Relationships between molecular structure and OH reactivity, as well as the atmospheric fate of 2,3-pentanedione, have been discussed.

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Section: Kinetic Results and Discussionsupporting

confidence: 79%

Section: Kinetic Results and Discussionmentioning

confidence: 99%

Atmospheric Chemistry of 2,3-Pentanedione: Photolysis and Reaction with OH Radicals

et al. 2011

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“…Total rate constants for the reaction of EMK and _ OH have also been investigated by several groups 6,7,[33][34][35] in the lower temperature range. Carr et al, 35 after validating their methodology against well-known rate data for _ OH + ethanol, used the photolysis of EMK itself as a source of _ OH and measured total rate constants up to 600 K. Their results show strong non-Arrhenius temperature dependence.…”

Section: Introductionmentioning

confidence: 99%

Ab initio and kinetic study of the reaction of ketones with ȮH for T = 500–2000 K. Part I: hydrogen-abstraction from H3CC(O)CH3–x(CH3)x, x = 0 ↦ 2

Zhou

Simmie

Curran

2011

Phys. Chem. Chem. Phys.

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A theoretical study is presented of the mechanism and kinetics of the reactions of the hydroxyl radical with three ketones: dimethyl (DMK), ethylmethyl (EMK) and iso-propylmethyl (iPMK) ketones. CCSD(T) values extrapolated to the basis set limit are used to benchmark the computationally less expensive methods G3 and G3MP2BH&H, for the DMK + OH reaction system. These latter methods are then used in computations involving the reactions of the larger ketones. All possible abstraction channels have been modeled. A stepwise mechanism involving the formation of a reactant complex in the entrance channel and a product complex in the exit channel has been recognized in part of the abstracting processes. High-pressure limit rate constants of the title reactions have been calculated in the temperature range of 500-2000 K using the Variflex code including Eckart tunneling corrections. Variable reaction coordinate transition state theory (VRC-TST) has been used for the rate constants of the barrier-less entrance channel. Calculated total rate constants (cm(3) mol(-1) s(-1)) are reported as follows: k(DMK) = 1.32 × 10(2)×T(3.30)exp(503/T), k(EMK) = 3.84 × 10(1)×T(3.51)exp(1515/T), k(iPMK) = 2.08 × 10(1)×T(3.58)exp(2161/T). Group rate constants (on a per H atom basis) for different carbon sites in title reactions have also been provided.

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Performance of various commercial TiO ₂ in photocatalytic degradation of a mixture of indoor air pollutants: Effect of photocatalyst and operating parameters

Haghighatmamaghani

Haghighat

Lee

2019

Science and Technology for the Built Environment

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Direct kinetic study of the reaction of OH radicals with methyl-ethyl-ketone

Cited by 3 publications

References 5 publications

Atmospheric Chemistry of 2,3-Pentanedione: Photolysis and Reaction with OH Radicals

Atmospheric Chemistry of 2,3-Pentanedione: Photolysis and Reaction with OH Radicals

Ab initio and kinetic study of the reaction of ketones with ȮH for T = 500–2000 K. Part I: hydrogen-abstraction from H3CC(O)CH3–x(CH3)x, x = 0 ↦ 2

Performance of various commercial TiO ₂ in photocatalytic degradation of a mixture of indoor air pollutants: Effect of photocatalyst and operating parameters

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Direct kinetic study of the reaction of OH radicals with methyl-ethyl-ketone

Cited by 3 publications

References 5 publications

Atmospheric Chemistry of 2,3-Pentanedione: Photolysis and Reaction with OH Radicals

Atmospheric Chemistry of 2,3-Pentanedione: Photolysis and Reaction with OH Radicals

Ab initio and kinetic study of the reaction of ketones with ȮH for T = 500–2000 K. Part I: hydrogen-abstraction from H3CC(O)CH3–x(CH3)x, x = 0 ↦ 2

Performance of various commercial TiO 2 in photocatalytic degradation of a mixture of indoor air pollutants: Effect of photocatalyst and operating parameters

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Performance of various commercial TiO ₂ in photocatalytic degradation of a mixture of indoor air pollutants: Effect of photocatalyst and operating parameters