A reduced reaction mechanism for the combustion of n-butane

Abstract

A C 1-C 3 short chemical-kinetic mechanism (the San Diego mechanism), which involves 235 elementary reactions among 40 such species, is extended to C 4 by adding 22 chemical-kinetic steps, among 7 additional species, with their associated reaction-rate parameters, to include the ignition and combustion of n-butane over a range of conditions that encompasses both lowtemperature and high-temperature chemistry, as well as both high and low pressures. Tests of predictions against measured ignition delays and laminar burning velocities are reported, as are comparisons with recent measurements in jet-stirred reactors, supporting the predictions of the mechanism, which may be useful in combustion computations, especially when larger mechanisms would be too time-consuming to be accommodated.

Large eddy simulation of impinging flames: Unsteady ignition and flame propagation

“…Such large mechanisms need to be reduced for computationally tractable threedimensional (3-D) simulations. Reduced mechanisms for propane have been developed from detailed chemistry [26,27,28,29], and employed successfully for Reynold-Averaged CFD simulations [28,29]. For example, Jithin et al [29] have performed a three-dimensional simulation to investigate steady laminar premixed propane-air flames using a reduced mechanism with 30 species and 192 reactions.…”

Numerical investigation on ignition intensification of n‐butane with tert‐butyl hydroperoxide (TBHP) addition

“…The detailed mechanism of n-butane developed by Healy et al 35 has been verified and employed widely. [36][37][38] This mechanism is more applicable for n-butane ignition in both low and high temperature regions compared with other mechanisms. Consequently, it is suitable to use this mechanism in this study.…”

DNS and LES of spark ignition with an automotive coil

“…This result is also encouraging for modelling because r arc is difficult to evaluate in practical cases. Cases Aarc and Barc are identical to A and B but the two-step mechanism is replaced by an analytically reduced mechanism based on [18] using the YARC reduction tool [19]. This mechanism includes 21 species, 316 reactions and 12 QSS species.…”

“…Future modelling should therefore allow the arc extremity to slide on the electrode surface. The same 2-step mechanism is used with adjusted parameters (see table S4) to recover a laminar flame speed of 0.13 m/s as given by Sandiego mechanism [18]. We chose here a dwell time of 2.5 ms, that is just above the MDT.…”