Comparison of automatically generated reaction mechanism for oxidation of simple hydrocarbons in IC engine

Abstract

In this work, a detailed kinetic reaction mechanism, consisting of 208 reactions and 79 species, has been developed todescribe the oxidation of simple hydrocarbon fuel (natural gas) in IC engine. The performance of the proposed mechanismis tested using simulation, tool CHEMKIN 4.1.1, and experimental measurements. The simulation results of the proposedreaction scheme were compared with those of reference mechanisms (GRI v3.0 and Konnov 0.5 version) as well as experimentaldata. Based upon simulation results, it can be concluded that the proposed mechanism shows good concordanceswith GR I3.0 mechanism especially in the prediction of temperature, pressure, and major product species (H2O, CO2) profilesat stoichiometric conditions (= 1.0). Although, there are some discrepancies among each predicted profile, the proposeddetailed mechanism is good to describe the oxidation of natural gas in IC engine. The experimental data also showed favorableresults for prediction of major product species (CO2, H2O & CO) at various engine operating speeds in idle mode