n-Butane: Ignition delay measurements at high pressure and detailed chemical kinetic simulations

An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures

“…Non-reactive experiments were performed in which oxygen was replaced by nitrogen in a mixture, in order 6 to obtain pressure-time histories which are converted to volume-time histories to be used in chemical kinetic simulations to simulate the effects of compression and heat loss. Details of the facility and experimental procedures are given in [34] [35]. The RCM heating system was updated to ensure no condensation of n-butylbenzene, which has a saturation vapor pressure of 0.13 kPa at 298 K [36].…”

Oxidation of Ethylene—Air Mixtures at Elevated Pressures, Part 2: Chemical Kinetics

“…Analogous behavior is visible in a typical alkane [7], where the temperature at which fuel-rich mixtures transition from most reactive to least reactive increases with elevated pressures. The characteristic is caused by the competition between the chain branching reaction +O2 + H and the pressure-dependent, stabilization/propagation reaction +O2(+M) H 2(+M), forming the hydroperoxyl radical.…”

“…However, this characteristic is much less significant in ethylene than for a typical alkane [7,8]. As the temperature is increased further, this dependence disappears, with the predicted reactivity essentially the same for all equivalence ratios.…”

“…Three recent papers on the butane isomers detail the C 4 sub-mechanism [7][8][9] and CH 4 -based blends [10,11]. Presented in the following paragraphs are the changes that were made to the original mechanism to produce the current version of the model.…”

Oxidation of Ethylene–Air Mixtures at Elevated Pressures, Part 1: Experimental Results

“…The detailed chemical kinetics mechanism is based on the hierarchical nature of hydrocarbon combustion mechanisms containing the H 2 /O 2 sub-mechanism [37], together with the CO/CH 4 and the C 2 and C 3 sub-mechanisms that have already been published [38]- [40]. The C 4 sub-mechanism has been fully detailed in three recent papers on the butane isomers [41]- [43] and methane-based blends [44], [45]. The initial version of the model used in the current work was C4_49, which is available online together with associated thermochemical parameters at http://c3.nuigalway.ie/mechanisms.html.…”