Global kinetics for n-heptane ignition at high pressures

Abstract

A kinetic mechanism of 1011 elementary reactions with 171 chemical species for n-heptane ignition is analysed and reduced to 4 global steps with adjusted rate coefficients to describe ignition at pressures around 40 atm. Two of these steps account for the high temperature branch and the other two for the low temperature branch of the ignition mechanism. The ignition delay time passes through a negative temperature dependence during the transition between the two branches. This is accounted for by the reversible third reaction step, which models the first and second 02-addition in the degenerated chain branching mechanism at low temperatures. Ignition delay times calculated with the adjusted 4-step model are compared to those from the detailed kinetics and experimental data. Finally the 4-step mechanism is analysed by asymptotic methods and explicit ignition delay time formulas are derived.