Bandow, Prediction of rate constants for the gas phase reactions of triphenylene with OH and NO3 radicals using a relative rate method in CCl4 liquid phase-system
Bandow, Prediction of rate constants for the gas phase reactions of triphenylene with OH and NO3 radicals using a relative rate method in CCl4 liquid phase-system
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Bandow，在 CCl4 液相系统中使用相对速率法预测苯并菲与 OH 和 NO3 自由基的气相反应的速率常数
DOI：
10.1016/j.chemosphere.2012.09.071
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发表时间：
2013
期刊：
影响因子：
8.8
通讯作者：
H
中科院分区：
文献类型：
--
作者：
T. Kameda;K. Inazu;K. Asano;M. Murota;N. Takenaka;Y. Sadanaga;Y. Hisamatsu;H
以萘（NA）为参比物，采用相对速率法研究了273 K时包括苯并菲（TP）在内的10种多环芳烃（PAC）与NO3自由基的四氯化碳液相反应动力学.所测PAC与NA在CCl 4中的相对反应速率如下：2.57±0.24（苊），2.11±0.30（2，3-二甲基萘），1.21±0.13（荧蒽），0.56±0.07（芴），1.85±0.19（1-甲基萘），1.77±0.12（2-甲基萘），0.11±0.03（1-硝基萘），1.59±0.23（菲），2.40±0.29（芘），0.22±0.04（TP）。TP是一种具有四个芳香环的半挥发性聚合氯化铝，它通过气相OH或NO3自由基引发的化学反应转化为致突变的2-硝基苯并菲（2-NTP）。根据PAC在四氯化碳液相体系中的相对反应活性，预测了TP与OH和NO3自由基在298 K下的气相反应速率常数分别为（8.6±1.2）×10− 12 cm 3 molecule − 1 s − 1和（6.6±1.5）×10−29[NO2] cm 3 molecule − 1 s −1.根据TP和2-NTP的环境浓度和TP与OH自由基反应的速率常数，2-NTP的大气损失率也进行了评估。
The kinetics of CCl4liquid-phase reactions of ten kinds of polycyclic aromatic compounds (PACs) including triphenylene (TP) with NO3radicals have been investigated at 273K by a relative rate method using naphthalene (NA) as a reference compound. The obtained relative reaction rates of the tested PACs to NA in CCl4were as follows: 2.57±0.24 (acenaphthene), 2.11±0.30 (2,3-dimethylnaphthalene), 1.21±0.13 (fluoranthene), 0.56±0.07 (fluorene), 1.85±0.19 (1-methylnaphthalene), 1.77±0.12 (2-methylnaphthalene), 0.11±0.03 (1-nitronaphthalene), 1.59±0.23 (phenanthrene), 2.40±0.29 (pyrene), 0.22±0.04 (TP). TP is a semi-volatile PAC with four aromatic rings and it is chemically changed into mutagenic 2-nitrotriphenylene (2-NTP) via the gas-phase OH or NO3radical-initiated reactions. On the basis of the relative reactivity of the PACs in the CCl4liquid phase-system, the rate constants of the gas-phase reactions of TP with OH and NO3radicals at 298K were predicted to be (8.6±1.2)×10−12cm3molecule−1s−1and (6.6±1.5)×10−29[NO2]cm3molecule−1s−1, respectively. Based on the ambient concentrations of TP and 2-NTP and the obtained rate constant for the reaction of TP with OH radicals, the atmospheric loss rate of 2-NTP was also evaluated.