Biologically derived diesel fuel and NO formation: An experimental and chemical kinetic study, Part 1

Pyrolysis and oxidation experiments have been conducted on two representative biodiesel surrogate components, methyl octanoate (C9:0) and methyl trans-2-octenoate (C9:1), using the UIC High-Pressure Shock Tube (HPST). The nominal experimental pressures ranged from 27 atm to 53 atm and temperatures varied from 900 to 1450 K with nominal reaction times of 1.65 ms. Dilute reagent mixtures of ∼100 ppm of each fuel were prepared in bulk argon and shock heated to study the stable intermediates. The experimental data have been used to develop and validate a kinetic model for the pyrolysis and oxidation of saturated and unsaturated C8 methyl esters. The developed model has also been coupled to an existing NO mechanism to predict prompt NO formation spanning the experimental temperature regime. It has been predicted that an increased amount of NO is formed from the unsaturated methyl ester, methyl trans-2-octenoate (C9:1) compared to the saturated methyl ester, methyl octanoate (C9:0) over the intermediate temperature range of 1050–1450 K.