The oxidation of n-butane and n-heptane in a CFR engine. Isomerization reactions and delay of autoignition

Primary Reference Fuels (PRFs) as Surrogates for Low Sensitivity Gasoline Fuels

“…Leppard also used a similar technique to study the oxidation and auto-ignition chemistry of several hydrocarbons. Similarly, Yang et al used this technique to examine the oxidation chemistry of cycloalkanes, while Zhang et al used it for the study of auto-ignition n-heptane/C7 esters and nheptane/1-butanol binary mixtures [35,36,37,38,39,40,41,42]. The schematic and the operating conditions of the CFR engine are presented in Fig.…”

Experimental study of cyclohexane and methylcyclohexane oxidation at low to intermediate temperature in a motored engine

“…Motored engines have been used to study low temperature hydrocarbon oxidation by various groups [17][18][19]. In these studies, fuel and oxidizer are premixed in the intake system and compressed by the piston without external means to initiate a reaction.…”

Flash Pyrolysis of t-Butyl Hydroperoxide and Di-t-butyl Peroxide: Evidence of Roaming in the Decomposition of Organic Hydroperoxides

“…Organic hydroperoxides are well-known in the lower temperature regions of flames. − Early pyrolysis studies demonstrated the expected labile nature of the O–O bond that dominates the chemistry of hydroperoxides. − Burgess and Laughlin showed the importance of hydroperoxides in combustion with their role in chain breaking of alkanes . Since their work, the general assumption has been that decomposition occurs almost exclusively through O–O bond cleavage leading to the production of hydroxyl radical and an alkoxy radical that rapidly undergoes chain cleavage. − Additionally, a second set of pathways found in the work with hydroperoxides has been shown to play a role in the formation of cyclic ethers. − ,− This can be explained by the rearrangement of hydroperoxyalkyl radicals (QOOH) to produce hydroxyl radical and the corresponding cyclic ether. ,,,,, This secondary pathway has caused a disagreement between the experiment and previously proposed models; this discrepancy led to the addition of multiple reaction pathways to the kinetic model. ,,,, Recent theoretical calculations on CH 3 OOH suggested the formation of weakly interacting fragments via long-range/van der Waals interaction in partial decomposition of unimolecular reactants and partial association of bimolecular reactants . Subsequently, a roaming step was suggested via reorientation of fragments from one region of the long-range potential to another and a decomposition from the long-range interactions yielding final products .…”