Kinetics of the reaction of OH radicals with a series of esters under simulated conditions at 295 K

Ferrari, Christophe; Roche, Agnès; Jacob, Véronique; Foster, P.; Baussand, Patrick

doi:10.1002/(sici)1097-4601(1996)28:8<609::aid-kin6>3.0.co;2-z

Cited by 35 publications

(45 citation statements)

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“…The room temperature rate constants for n-nonane are all from relative rate studies (Atkinson et al, 1982b;Behnke et al, 1987Behnke et al, , 1988Nolting et al, 1988;Ferrari et al, 1996;Kramp and Paulson, 1998), and are in good agreement. A least-squares analysis of the rate constants of Atkinson et al (1982b), Behnke et al (1987Behnke et al ( , 1988, Nolting et al (1988), Koffend andCohen (1996), Ferrari et al (1996) and Kramp and Paulson (1998), using the expression k=AT 2 e −B/T , leads to the recommendation of…”

Section: Oh+n-nonanementioning

confidence: 70%

“…As shown in Table 33, the database for this reaction is small, with the only absolute rate study being that Koffend and Cohen (1996) at 1086 K (note that, assuming that the experimental data listed in their Table III is correct, then the temperature is incorrectly stated in both the abstract and Table VII of Koffend and Cohen (1996) ( Atkinson et al, 1982b;Klöpffer et al, 1986;Behnke et al, 1987Behnke et al, , 1988Ferrari et al, 1996). A least-squares analysis of the rate constants from the studies of Atkinson et al (1982b), Behnke et al (1987Behnke et al ( , 1988, Koffend and Cohen (1996) and Ferrari et al (1996), using the expression k=AT 2 e −B/T , leads to the recommendation of k(n−heptane)=1.95×10 −17 T 2 e 406/T cm 3 molecule −1 s −1 over the temperature range 290-1090 K, and k(n−heptane)=6.76×10 −12 cm 3 molecule −1 s −1 at 298 K, with an estimated overall uncertainty at 298 K of ±20%.…”

Section: Oh+n-heptanementioning

confidence: 99%

“…A least-squares analysis of the rate constants from the studies of Atkinson et al (1982b), Behnke et al (1987Behnke et al ( , 1988, Koffend and Cohen (1996) and Ferrari et al (1996), using the expression k=AT 2 e −B/T , leads to the recommendation of k(n−heptane)=1.95×10 −17 T 2 e 406/T cm 3 molecule −1 s −1 over the temperature range 290-1090 K, and k(n−heptane)=6.76×10 −12 cm 3 molecule −1 s −1 at 298 K, with an estimated overall uncertainty at 298 K of ±20%.…”

Section: Oh+n-heptanementioning

confidence: 99%

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Kinetics of the gas-phase reactions of OH radicals with alkanes and cycloalkanes

2003

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Abstract. The available database concerning rate constants for gas-phase reactions of the hydroxyl (OH) radical with alkanes through early 2003 is presented over the entire temperature range for which measurements have been made (∼180-2000 K). Measurements made using relative rate methods are re-evaluated using recent rate data for the reference compound (generally recommendations from this review). In general, whenever more than one study has been carried out over an overlapping temperature range, recommended rate constants or temperature-dependent rate expressions are presented. The recommended 298 K rate constants, temperature-dependent parameters, and temperature ranges over which these recommendations are applicable are listed in Table 1.

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Section: Oh+n-nonanementioning

confidence: 70%

Section: Oh+n-heptanementioning

confidence: 99%

Section: Oh+n-heptanementioning

confidence: 99%

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Kinetics of the gas-phase reactions of OH radicals with alkanes and cycloalkanes

2003

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“…(g) Figure 4. Arrhenius plots of the rate data for the reaction of OH radicals with straight-chain alkanes and cyclooctane in comparison with previous studies [25,[39][40][41][42][43][44][45][46][47][48][49].…”

Section: Discussionmentioning

confidence: 88%

Rate Constants for the Reaction of OH Radicals with Hydrocarbons in a Smog Chamber at Low Atmospheric Temperatures

2018

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Abstract:The photochemical reaction of OH radicals with the 17 hydrocarbons n-butane, n-pentane, n-hexane, n-heptane, n-octane, n-nonane, cyclooctane, 2,2-dimethylbutane, 2,2-dimethylpentane, 2,2-dimethylhexane, 2,2,4-trimethylpentane, 2,2,3,3-tetramethylbutane, benzene, toluene, ethylbenzene, p-xylene, and o-xylene was investigated at 288 and 248 K in a temperature controlled smog chamber. The rate constants were determined from relative rate calculations with toluene and n-pentane as reference compounds, respectively. The results from this work at 288 K show good agreement with previous literature data for the straight-chain hydrocarbons, as well as for cyclooctane, 2,2-dimethylbutane, 2,2,4-trimethylpentane, 2,2,3,3-tetramethylbutane, benzene, and toluene, indicating a convenient method to study the reaction of OH radicals with many hydrocarbons simultaneously. The data at 248 K (k in units of 10 −12 cm 3 s −1 ) for 2,2-dimethylpentane (2.97 ± 0.08), 2,2-dimethylhexane (4.30 ± 0.12), 2,2,4-trimethylpentane (3.20 ± 0.11), and ethylbenzene (7.51 ± 0.53) extend the available data range of experiments. Results from this work are useful to evaluate the atmospheric lifetime of the hydrocarbons and are essential for modeling the photochemical reactions of hydrocarbons in the real troposphere.

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“…The data ofFerrari et al, 1996 [15] are significantly lower (40%) than the average of the others and have not been taken into account for the recommended value. A unit-weighted leastsquares analysis of all the data except the one by Ferrari et al, 1996[15], lead to the recommended values:…”

mentioning

confidence: 99%

Kinetics of the reactions of OH radicals with some oxygenated volatile organic compounds under simulated atmospheric conditions

Picquet

Heroux

Chebbi

et al. 1998

Int. J. Chem. Kinet.

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Some relative rate experiments have been carried out at room temperature and at atmospheric pressure. This concerns the OH-oxidation of some oxygenated volatile organic compounds including methanol (k 1 ), ethanol (k 2 ), MTBE (k 3 ), ethyl acetate (k 4 ), n-propyl acetate (k 5 ), isopropyl acetate (k 6 ), n-butyl acetate (k 7 ), isobutyl acetate (k 8 ), and t-butyl acetate (k 9 ). The experiments were performed in a Teflon-film bag smog chamber. The rate constants obtained are (in ):cm molecule s k ϭ (0.90 Ϯ 0.08) ϫ 10 ; k ϭ (3.88 Ϯ 0.11) ϫ 1 2 Ϫ12 Ϫ12 Ϫ12 Ϫ12 10 ; k ϭ (2.98 Ϯ 0.06) ϫ 10 ; k ϭ (1.73 Ϯ 0.20) ϫ 10 ; k ϭ (3.56 Ϯ 0.15) ϫ 10 ; 3 4 5 and Ϫ12 Ϫ12 Ϫ12k ϭ (3.97 Ϯ 0.18) ϫ 10 ; k ϭ (5.78 Ϯ 0.15) ϫ 10 ; k ϭ (6.77 Ϯ 0.30) ϫ 10 ; k ϭ 6 7 8 9The agreement between the obtained rate constants and some previ- Ϫ12(0.56 Ϯ 0.11) ϫ 10 . ously published data has allowed for most of the studied compounds to point out a coherent group of values and to suggest recommended values. Atmospheric implications are also discussed.

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Kinetics of the reaction of OH radicals with a series of esters under simulated conditions at 295 K

Cited by 35 publications

References 0 publications

Kinetics of the gas-phase reactions of OH radicals with alkanes and cycloalkanes

Kinetics of the gas-phase reactions of OH radicals with alkanes and cycloalkanes

Rate Constants for the Reaction of OH Radicals with Hydrocarbons in a Smog Chamber at Low Atmospheric Temperatures

Kinetics of the reactions of OH radicals with some oxygenated volatile organic compounds under simulated atmospheric conditions

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