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.
The kinetics of CCl(4) liquid-phase reactions of ten kinds of polycyclic aromatic compounds (PACs) including triphenylene (TP) with NO(3) radicals 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 CCl(4) were 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 NO(3) radical-initiated reactions. On the basis of the relative reactivity of the PACs in the CCl(4) liquid phase-system, the rate constants of the gas-phase reactions of TP with OH and NO(3) radicals at 298 K were predicted to be (8.6±1.2)×10(-12) cm(3) molecule(-1) s(-1) and (6.6±1.5)×10(-29)[NO(2)] cm(3) molecule(-1) s(-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.
Institute of Medical, Pharmaceutical and Health Sciences, Kanazawa University, Kakuma-machi, Kanazawa 920-1192, Japan. kameda@p.kanazawa-u.ac.jp
Takayuki
T
Kameda
Koji
K
Inazu
Kohei
K
Asano
Madoka
M
Murota
Norimichi
N
Takenaka
Yasuhiro
Y
Sadanaga
Yoshiharu
Y
Hisamatsu
Hiroshi
H
Bandow
D000393:Air Pollutants / Q000737:chemistry*; D000397:Air Pollution / Q000706:statistics & numerical data*; D002251:Carbon Tetrachloride / Q000737:chemistry*; D002911:Chrysenes; D004784:Environmental Monitoring / Q000379:methods; D006878:Hydroxides / Q000737:chemistry*; D009566:Nitrates / Q000737:chemistry*; D044367:Phase Transition
D000393:Air Pollutants; D002911:Chrysenes; D006878:Hydroxides; D009566:Nitrates; C009590:triphenylene; C031356:hydroxide ion; D002251:Carbon Tetrachloride