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In this paper, the formulation of a reduced chemical kinetic mechanism for iso-pentanol fuel is presented. First, the main reaction pathway and pertinent key species for iso-pentanol oxidation were identified. Then, the detailed chemical kinetic mechanism for iso-pentanol was reduced using reduction techniques which included directed relation graph, isomer lumping and temperature sensitivity analysis, where a reduced mechanism of 92 species and 444 reactions was obtained. The reduced mechanism for iso-pentanol was validated against experimental data as well as detailed mechanism predictions under zero-dimensional shock tube auto-ignition and jet-stirred reactor (JSR) conditions, at initial temperatures from 650 K to 1350 K, initial pressures from 10.1 bar to 60 bar and equivalence ratios between 0.5 and 2.

This paper reports the developmental work of skeletal biodiesel surrogate mechanisms specifically for integration with computational fluid dynamics (CFD) solvers. The fuels of interests here were methyl esters of coconut, palm and soybean. Their combustion kinetics were collectively represented by a detailed mechanism with appropriate components of a biodiesel surrogate (methyl decanoate/methyl-9-decenoate) and a diesel surrogate (n-heptane). As a result of computational complexity induced by the detailed mechanism with 3299 species and 10806 reactions, several mechanism reduction methods were employed such as directed relation graph, isomer lumping and temperature sensitivity analysis. Three different skeletal mechanisms, with the inclusion of low- and high-temperature chemistries, were built as a result of different governing reaction pathways in each fuel.