The Effect of Temperature on Promotion of the Oxidation of Nitric Oxide and Propene by the Thermal Decomposition of Peroxyacetyl Nitrate(PAN) under Dark Conditions
- An Approach by Computer Simulation -

Issei IWAMOTO*1, Hisao MORITA*2, Atsushi KOSAKA*1, Hitoshi TANIHARA*1, Kazuyoshi MITA*1, Soichi OTSUKA*1, and Kazuhiko SAKAMOTO*1

*1Department of Applied Chemistry, Faculty of Engineering, Saitama University Shimo-Ohkubo 255, Urawa 338
*2Saitama Institute of Public Health Kami-Ohkubo 639-1, Urawa 338

(Recieved : March 3, 1995; Accepted for publication : April 16, 1995)

The first-order rate constants of PAN decomposition were experimentally determined in the temperature range from 12 to 35C. Simulation calculation was also performed under quasi-atmospheric conditions by a modified chemical reaction model including the experimentally determined rate constants of PAN decomposition. It was revealed from these studies that oxidation of nitric oxide is promoted by PAN decomposition in the presence of propene because of the addition of new pathways containing OH radical as chain carrier and that the degree of promotion of oxidation is controlled by the decomposition rate of PAN which has strong temperature dependence.

Keyword: Simulation, Chemical reaction model, PAN, Thermal decomposition

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