Systematic Reduction of the Detailed Kinetic Mechanism for the Combustion of n -Butane

A systematic approach for mechanism reduction was demonstrated to generate a skeletal and reduced mechanism for the oxidation of n -butane. first,a skeletal mechanism,including 89 species and 440 elementary reactions,was derived from a 230-species detailed mechanism using path flux analysis (pfa). then,the unimportant reactions were eliminated using the importance index defined in computational singular perturbation (csp),resulting in a skeletal mechanism consisting of 89 species and 298 elementary reactions. finally,20 global quasi-steady-state species were identified using a csp-based time-scale analysis,leading to a 69-species reduced mechanism. validation of the 89-species skeletal and 69-species reduced mechanisms showed good agreement with the detailed mechanism for both the ignition delay time and the distribution of species concentration over a wide range of simulation conditions. © 2016 chunhui liu et al.