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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Rate Coefficients for the OH+HC(0)C(0)H (Glyoxal) Reaction between 210 and 390 K
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Rate Coefficients for the OH+HC(0)C(0)H (Glyoxal) Reaction between 210 and 390 K

机译：210和390 K之间的OH + HC（0）C（0）H（乙二醛）反应的速率系数

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摘要

Rate coefficients,k1(T),over the temperature range of 210-390 K are reported for the gas-phase reaction OH+HC(0)C(0)H (glyoxal) -> products at pressures between 45 and 300 Torr (He,N2).Rate coefficients were determined under pseudo-first-order conditions in OH using pulsed laser photolysis production of OH radicals coupled with OH detection by laser-induced fluorescence.The rate coefficients obtained were independent of pressure and bath gas.The room-temperature rate coefficient,k1(296 K),was determined to be (9.15 ± 0.8) x 10~(-12) cm~3 molecule~(-1) s~(-1).k1(T) shows a negative temperature dependence with a slight deviation from Arrhenius behavior that is reproduced over the temperature range included in this study by k1(T)=[(6.6 ± 0.6) x 10~(-18)]T~2[exp([820 ± 30]/T)] cm~3 molecule~(-1) s~(-1).For atmospheric modeling purposes,a fit to an Arrhenius expression over the temperature range included in this study that is most relevant to the atmosphere,210-296 K,yields k1(T)=(2.8 ± 0.7) x 10~(-12) exp[(340 ± 50)/T] cm~3 molecule~(-1) s~(-1) and reproduces the rate coefficient data very well.The quoted uncertainties in k1(T) are at the 95% confidence level (2sigma) and include estimated systematic errors.Comparison of the present results with the single previous determination of k1(296 K) and a discussion of the reaction mechanism and non-Arrhenius temperature dependence are presented.
机译：报告了气相反应OH + HC（0）C（0）H（乙二醛）->在45至300 Torr之间的压力下在210-390 K的温度范围内的速率系数k1（T）（> He，N2）。在OH的伪一级反应条件下，通过脉冲激光光解产生OH自由基并结合激光诱导的荧光检测OH来确定速率系数，得出的速率系数与压力和浴液无关。 -温度速率系数k1（296 K）被确定为（9.15±0.8）x 10〜（-12）cm〜3分子〜（-1）s〜（-1）.k1（T）显示为负在本研究包括的温度范围内，温度依赖性与阿累尼乌斯行为略有偏差，其再现度为k1（T）= [（6.6±0.6）x 10〜（-18）] T〜2 [exp（[820±30 ] / T）] cm〜3分子〜（-1）s〜（-1）。为进行大气建模，在与大气最相关的本研究包括的温度范围内，对Arrhenius表达式进行拟合210- 296 K，产率k1（T）=（2.8±0.7 ）x 10〜（-12）exp [（340±50）/ T] cm〜3分子〜（-1）s〜（-1）并很好地再现了速率系数数据.k1（T）中引用的不确定性在95％的置信水平（2sigma）处，并且包括估计的系统误差。目前的结果与先前确定的k1（296 K）的比较以及对反应机理和非阿累尼乌斯温度依赖性的讨论。

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