Biofuels are considered as potentially attractive alternative fuels that can reduce greenhouse gas and pol- lutant emissions. iso-Pentanol is one of several next-generation biofuels that can be used as an alterna- tive fuel in combustion engines. In the present study, new experimental data for iso-pentanol in shock tube, rapid compression machine, jet stirred reactor, and counterflow diffusion flame are presented. Shock tube ignition delay times were measured for iso-pentanol/air mixtures at three equivalence ratios, temperatures ranging from 819 to 1252 K, and at nominal pressures near 40 and 60 bar. Jet stirred reactor experiments are reported at 5 atm and five equivalence ratios. Rapid compression machine ignition delay data was obtained near 40 bar, for three equivalence ratios, and temperatures below 800 K. Laminar flame speed data and non-premixed extinction strain rates were obtained using the counterflow config- uration. A detailed chemical kinetic model for iso-pentanol oxidation was developed including high- and low-temperature chemistry for a better understanding of the combustion characteristics of higher alco- hols. First, bond dissociation energies were calculated using ab initio methods, and the proposed rate con- stants were based on a previously presented model for butanol isomers and n-pentanol. The model was validated against new and existing experimental data at pressures of 1–60 atm, temperatures of 650– 1500 K, equivalence ratios of 0.25–4.0, and covering both premixed and non-premixed environments. The method of direct relation graph (DRG) with expert knowledge (DRGX) was employed to eliminate unimportant species and reactions in the detailed mechanism, and the resulting skeletal mechanism was used to predict non-premixed flames. In addition, reaction path and temperature A-factor sensitivity analyses were conducted for identifying key reactions at various combustion conditions. ​

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Thermodynamic properties

Transport properties

Complete low and high temperature mechanism

High Temperature mechanism

Skeletal mechanism


S.M. Sarathy, S. Park, W. Wang, P.S. Veloo, A.C. Davis, C. Togbe, B. Weber, C.K. Westbrook, O. Park, G. Dayma, Z. Luo, M.A. Oehlschlaeger, F.N. Egolfopoulos, T. Lu, W.J. Pitz, C.-J. Sung, P. Dagaut, A comprehensive experimental and modeling study of iso-pentanol combustion, Combustion and Flame, 2013, 2712–2728. https://doi.org/10.1016/j.combustflame.2013.06.022