Kinetic analysis of the gas-phase reactions of methyl vinyl ketone with the OH radical in the presence of NOx

An explicit chemical mechanism for the reaction of methyl vinyl ketone (MVK ) with OH radicals in NOx-air systems, was simulated by solving the corresp onding ordinary differential equations using Runge-Kutta-4-semi-implicit me thod. The simulated results are consistent with the published experimental data and the model accounts for all the major pathways by which MVK reacts in NOx-air systems. An eigenvalue-eigenvector analysis is used to extract m eaningful kinetic information from linear sensitivity coefficients computed for all species of the chemical mechanism at several time points. This met hod is used to get an objective condition for constructing a minimal reacti on set. Also, a classic method called rate of production analysis (ROPA) wa s used for the study of the reactions relevance. Using the principal compon ent information as well as the rate of production analysis the main paths o f reaction are identified and discussed.