Kinetics Study of OH Radical Reactions with n-Octane, n-Nonane, and n-Decane at 240−340 K Using the Relative Rate/Discharge Flow/Mass Spectrometry Technique

Li, Zhuangjie; Singh, Sumitpal; Woodward, W. S.; Dang, Lan

doi:10.1021/jp0638134

Cited by 20 publications

(44 citation statements)

References 34 publications

(78 reference statements)

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“…However, more experimental research, especially with absolute measurements is needed to clarify the real reaction rate constant of OH radicals with n-heptane at low temperature. Our results for n-octane and n-nonane are consistent with previous results by Li et al [28]. This study provides more open questions than a comprehensive understanding of gas-phase reactions of OH with n-alkanes below 290 K until precise determinations of absolute rate constants for the higher alkanes become available.…”

Section: Discussionsupporting

confidence: 92%

“…Our results for n-octane and n-nonane are consistent with previous results by Li et al [28]. This study provides more open questions than a comprehensive understanding of gas-phase reactions of OH with n-alkanes below 290 K until precise determinations of absolute rate constants for the higher alkanes become available.…”

Section: Discussionsupporting

confidence: 92%

“…Our results for n-octane and n-nonane are consistent with previous results by Li et al [28]. This study will help to provide a more comprehensive understanding of gas-phase reactions of OH with n-alkanes below 290 K. The result for cyclooctane confirms the data from Sprengnether et al [31], however, data at higher temperatures are desirable to validate the Arrhenius expression over a wider temperature range.…”

Section: Discussionsupporting

confidence: 91%

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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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Section: Discussionsupporting

confidence: 92%

Section: Discussionsupporting

confidence: 92%

Section: Discussionsupporting

confidence: 91%

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

2018

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“…This provides additional evidence to support the conclusion that the CH 2  group in longer chain unsaturated oxygenated hydrocarbons does not significantly affect the rate constant, and the major reaction sites for this series of compounds are OH addition to the double bond and H atom abstraction from the CHO functional group. This result is similar to the incremental increases in the OH rate constant of approximately (1–3) × 10 −12 cm 3 molecule −1 s −1 for C8C10 n ‐alkanes and C7–C10 1‐alkenes that is due to the effects of added CH 2  20,21 groups. Further support arises when considering the product studies of some unsaturated aldehydes 22,23.…”

Section: Resultssupporting

confidence: 77%

Rate constants of the gas‐phase reactions of OH radicals with trans‐2‐hexenal, trans‐2‐octenal, and trans‐2‐nonenal

Tingting

Andino

Rivera³

et al. 2009

Int J of Chemical Kinetics

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The rate constants of the gas-phase reaction of OH radicals with trans-2-hexenal, trans-2-octenal, and trans-2-nonenal were determined at 298 ± 2 K and atmospheric pressure using the relative rate technique. Two reference compounds were selected for each rate constant determination. The relative rates of OH + trans-2-hexenal versus OH + 2-methyl-2-butene and β-pinene were 0.452 ± 0.054 and 0.530 ± 0.036, respectively. These results yielded an average rate constant for OH + trans-2-hexenal of (39.3 ± 1.7) × 10 −12 cm 3 molecule −1 s −1 . The relative rates of OH+ trans-2-octenal versus the OH reaction with butanal and β-pinene were 1.65 ± 0.08 and 0.527 ± 0.032, yielding an average rate constant for OH + trans-2-octenal of (40.5 ± 2.5) × 10 −12 cm 3 molecule −1 s −1 . The relative rates of OH+ trans-2-nonenal versus OH+ butanal and OH + trans-2-hexenal were 1.77 ± 0.08 and 1.09 ± 0.06, resulting in an average rate constant for OH + trans-2-nonenal of (43.5 ± 3.0) × 10 −12 cm 3 molecule −1 s −1 . In all cases, the errors represent 2σ (95% confidential level) and the calculated rate constants do not include the error associated with the rate constant of the OH reaction with the reference compounds. The rate constants for the hydroxyl radical reactions of a series of trans-2-aldehydes were compared with the values estimated using the structure activity relationship.

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“…Figure shows the schematic of RR/DF/MS experimental apparatus used in the present study. The RR/DF/MS technique is a well‐established technique that has been described in details previously , and is briefly explained here. The flow reactor is consisted of a 100‐cm‐long Pyrex tube with 5.08 cm i.d.…”

Section: Methodsmentioning

confidence: 99%

Kinetics Investigation of Reaction of Naphthalene with OH Radicals at 1–3 Torr and 240–340 K

Roueintan

Cho

2014

Int J of Chemical Kinetics

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The combination of relative rate method with discharge flow and mass spectrometry (RR/DF/MS) technique was employed to determine the rate constant for the gas‐phase reaction of hydroxyl radicals (OH) with naphthalene at 240−340 K and a total pressure of 1–3 Torr. At 298 K, the rate constant was measured to be k1=2.63±0.57×10−11 cm3 molecule−1 s−1, which is in good agreement with reported literature values determined using different techniques. The reaction of OH with naphthalene was found to be essentially independent of pressure in a range of 1−3 Torr at both 298 and 340 K. At 240–340 K, the rate constant of this reaction was found to be negatively dependent on temperature, with an Arrhenius expression of k1(T) =1.36±0.39×10−12 exp [()908±82/T] cm3 molecule−1 s−1 and k1(T) =1.05±0.20×10−12 exp [()986±53/T] cm3 molecule−1 s−1 using 1,4‐dioxane and styrene as the reference compounds, respectively. The atmospheric lifetime of naphthalene was estimated to be 9.6 h using the rate constant of naphthalene + OH determined at 277 K in the present work.

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Kinetics Study of OH Radical Reactions with n-Octane, n-Nonane, and n-Decane at 240−340 K Using the Relative Rate/Discharge Flow/Mass Spectrometry Technique

Cited by 20 publications

References 34 publications

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

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

Rate constants of the gas‐phase reactions of OH radicals with trans‐2‐hexenal, trans‐2‐octenal, and trans‐2‐nonenal

Kinetics Investigation of Reaction of Naphthalene with OH Radicals at 1–3 Torr and 240–340 K

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