Detailed kinetic modeling study of isopentanol oxidation

Biofuels are considered as potentially attractive alternative fuels that can reduce pollutant emissions. Ethanol is the most commonly used biofuel to power automobiles, but ethanol has several disadvantages such as low energy density, high O/C ratio, and high hygroscopicity. Isopentanol is one of next-generation biofuels that can be used as an alternative fuel in combustion engines because of higher energy density and less hygroscopicity compare to ethanol. In the present study, a detailed chemical kinetic model for isopentanol oxidation was developed including high- and low-temperature chemistry for a better understanding the combustion characteristics of higher alcohols. The proposed model was based on a previously presented modeling study on butanol isomers and validated against experimental data. The present mechanism shows good agreement with the ignition delay times obtained from shock-tube and rapid compression machine and species concentrations obtained from a jet-stirred flow reactor. In additions, reaction path and temperature A-factor sensitivity analyses were conducted for identifying key reactions.