A skeletal mechanism for biodiesel blend surrogates combustion

Highlights: • A skeletal biodiesel reaction mechanism with 112 species was constructed. • The developed mechanism contains the CO, NOx and soot formation kinetics. • It was well validated against detailed reaction mechanism and experimental results. • The mechanism is suitable to simulate biodiesel, diesel and their blend fuels. - Abstract: A tri-component skeletal reaction mechanism consisting of methyl decanoate, methyl-9-decenoate, and n-heptane was developed for biodiesel combustion in diesel engine. It comprises 112 species participating in 498 reactions with the CO, NOx and soot formation mechanisms embedded. In this study, a detailed tri-component biodiesel mechanism was used as the start of mechanism reduction and the reduced mechanism was combined with a previously developed skeletal reaction mechanism for n-heptane to integrate the soot formation kinetics. A combined mechanism reduction strategy including the directed relation graph with error propagation and sensitivity analysis (DRGEPSA), peak concentration analysis, isomer lumping, unimportant reactions elimination and reaction rate adjustment methods was employed. The reduction process for biodiesel was performed over a range of initial conditions covering the pressures from 1 to 100 atm, equivalence ratios from 0.5 to 2.0 and temperatures from 700 to 1800 K, whereas for n-heptane, ignition delay predictions were compared against 17 shock tube experimental conditions. Extensive validations were performed for the developed skeletal reaction mechanism with 0-D ignition delay testing and 3-D engine simulations. The results indicated that the developed mechanism was able to accurately predict the ignition delay timings of n-heptane and biodiesel, and it could be integrated into 3-D engine simulations to predict the combustion characteristics of biodiesel. As such, the developed 112-species skeletal mechanism can accurately mimic the significant reaction pathways of the detailed reaction mechanism, and it is suitable to be used for diesel engine combustion simulations fueled by biodiesel, diesel and their blend fuels