Experimental and Detailed Kinetic Modeling Study of Isoamyl Alcohol (Isopentanol) Oxidation in a Jet-Stirred Reactor at Elevated Pressure

Isoamyl alcohol (isopentanol or 3-methylbutan-1-ol) that can be biologically produced is among the possible alcohols usable as an alternative fuel in internal combustion engines. It has a higher energy density than smaller alcohols (ca. 28.5 MJ/L, as compared to ca. 21 MJ/L for ethanol and 27 MJ/L for 1-butanol). It is less hydroscopic than ethanol and mixes better with hydrocarbons. To better understand the combustion characteristics of that alcohol, new experimental data were obtained for its kinetics of oxidation in a jet-stirred reactor (JSR). Concentration profiles of stable species were measured in a JSR at 10 atm over a range of equivalence ratios (0.35−4) and temperatures (530−1220 K). The oxidation of isopentanol was modeled using an extended detailed chemical kinetic reaction mechanism (2170 reactions involving 419 species) derived from a previously proposed scheme for the oxidation of a variety of fuels. The proposed mechanism shows good agreement with the present experimental data. Reaction path and sensitivity analyses were conducted for interpreting the results.