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Technical Paper

Formulation of a Reduced Chemical Kinetic Mechanism for the Combustion Modelling of Iso-Pentanol Fuel

2022-03-29
2022-01-0390
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.
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