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

Abstract

The first-order rate constants of PAN decomposition were experimentally determined in the temperature range from 12 to 35°C. 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.