Small-scale chemical kinetic mechanism models for pyrolysis of n-decane

Abstract

n-Decane is a component of commonly used fuels, but so far studies into its pyrolysis mechanism are rare and the few existing mechanisms are inconvenient to use owing to their large scales. A small-scale chemical kinetic model (Mech33) for describing the process of n-decane pyrolysis containing 33 species and 75 elementary reactions was constructed. Based on partial equilibrium and quasi-steady state assumptions through sensitivity analysis, a smaller kinetic model (Mech22) containing 22 species and 59 reactions was developed from Mech33. Simulations of n-decane pyrolysis using these two models were compared with experimental data from flow reactor and shock tube over a wide range of temperatures and pressures. The results showed that Mech33 and Mech22 could reproduce the process of n-decane pyrolysis well and accurately predict the concentrations profile of main products, and finally provide valuable chemical kinetic models for engineering simulations when coupled with computational fluid dynamics (CFD). © Editorial office of Acta Physico-Chimica Sinica.