当前位置: X-MOL 学术Int. J. Chem. Kinet. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Kinetic studies of excited singlet oxygen atom O(1D) reactions with ethanol
International Journal of Chemical Kinetics ( IF 1.5 ) Pub Date : 2021-01-17 , DOI: 10.1002/kin.21474
Hongtao Zhong 1 , Chao Yan 1 , Chu C. Teng 2 , Timothy Y. Chen 1 , Gerard Wysocki 2 , Yiguang Ju 1
Affiliation  

The multichannel reaction of excited singlet oxygen atom with ethanol, O(1D) + C2H5OH (1), was studied in a photolysis flow reactor coupled with mid‐infrared Faraday rotation spectroscopy (FRS) and UV‐IR direct absorption spectroscopy (DAS) at 297 K with reactor pressures of 60, 120, and 150 Torr (bath He). The excited singlet oxygen atom was generated through the photolysis of O3 at 266 nm. The photon flux and O(1D) concentrations were determined by in situ actinometry based on O3 depletion. Temporal profiles of OH and H2O were monitored via DAS signals at ca. 3568.62 and 3568.29 cm−1, while temporal profiles of HO2 were measured via FRS signals at ca. 1396.90 cm−1. The branching ratios of the target reaction (1) were determined by fitting temporal profiles to simulations from an in‐house reaction mechanism. Two major reaction channels were identified as CH3CHOH + OH and CH3O + CH2OH, and their branching ratios were determined as 0.46 ± 0.12 and 0.42 ± 0.11, respectively. A specific HO2 + RO2 reaction between HO2 and O2CH2CH2OH (β‐RO2) at the low‐temperature range is estimated in this work as HO2 + O2CH2CH2OH urn:x-wiley:05388066:media:kin21474:kin21474-math-0001 products with a rate constant of 7 × 10−12 cm3 molecule−1 s−1.

中文翻译:

乙醇激发单线态氧原子O(1D)反应的动力学研究

在结合中红外法拉第旋转光谱(FRS)和UV-IR直接吸收的光解流反应器中研究了激发的单线态氧原子与乙醇O(1 D)+ C 2 H 5 OH(1)的多通道反应297 K时的光谱(DAS),反应器压力分别为60、120和150托(He浴)。激发的单线态氧原子是通过O 3在266 nm处的光解而产生的。光子通量和O(1 D)浓度是通过基于O 3耗尽的原位光化法测定的。OH和H 2 O的时间分布图通过DAS信号在大约20 ℃进行监测。3568.62和3568.29 cm -1,而HO 2的时间剖面通过FRS信号在大约 1396.90厘米-1。目标反应(1)的支化比是通过将时间曲线拟合到内部反应机理的模拟中来确定的。确定了两个主要反应通道:CH 3 CHOH + OH和CH 3 O + CH 2 OH,其支化比分别确定为0.46±0.12和0.42±0.11。具体HO 2 + RO 2 HO之间反应2和O 2 CH 2 CH 2 OH(β-RO 2)在低温度范围内,估计在此工作如HO 2 + O 2 CH速率常数为7×10 -12 cm 3分子-1 s -1的2 CH 2 OH骨灰盒:x-wiley:05388066:media:kin21474:kin21474-math-0001产物。
更新日期:2021-01-17
down
wechat
bug