Low- and high-temperature study of n-heptane combustion chemistry

Revisiting low temperature oxidation chemistry of n-heptane

“…LLNL [17], Polimi [40] and Bielefeld models [47]. The experimental mole fraction of KHP was the sum of the signal of KHP and its fragment using a total PICS of 6.3 Mb at 10.5 eV, as calculated in the work of Wang et al [44].…”

“…Fig. 2: Measured mole fraction profile of C7 KHP (symbol) by SVUV-PIMS in JSR-1 and modeling results using different mechanisms, including NUI [15], LLNL [17], Polimi [40] and Bielefeld models [47]. Rate constant of KHP decomposition used in all models is also presented.…”

Gas-phase preparation of azulene (C10H8) and naphthalene (C10H8) via the reaction of the resonantly stabilized fulvenallenyl (C7H5˙) and propargyl (C3H3˙) radicals

“…and propargyl ðC 3 H 3 Þvia de-factor ring annulation within a chemical microreactor [40][41][42] via the novel Fulvenallenyl Addition Cyclization Aromatization (FACA) reaction mechanism. The reaction products were sampled in a molecular beam via electron ionization [43][44][45] and isomer-specically via fragment-free photoionization of the neutral products exploiting tunable vacuum ultraviolet (VUV) light followed by detection of the ionized molecules in a reection time-of-ight mass spectrometer 41,46 (Re-TOF-MS; Fig. S1 and S2, ESI †).…”

“…Here, we provide persuasive testimony on the first gas phase preparation of the azulene molecule (C 10 H 8 ) along with its naphthalene isomer (C 10 H 8 ) initiated through the reaction of two resonantly stabilized free radicals – fulvenallenyl and propargyl – via de-factor ring annulation within a chemical microreactor 40–42 via the novel Fulvenallenyl Addition Cyclization Aromatization (FACA) reaction mechanism. The reaction products were sampled in a molecular beam via electron ionization 43–45 and isomer-specifically via fragment-free photoionization of the neutral products exploiting tunable vacuum ultraviolet (VUV) light followed by detection of the ionized molecules in a reflection time-of-flight mass spectrometer 41,46 (Re-TOF-MS; Fig. S1 and S2, ESI†).…”

Effects of High-Concentration CO2 on Ignition Delay Time of 70% n-Heptane/30% Toluene Mixtures

“…Diesel is a complex mixture composing hundreds of different components, which is not feasible to consider the oxidation chemistry of all the compounds [6,7]. Encouragingly, n-heptane is commonly adopted as DSF due to it having a similar cetane number to diesel and the oxidation reaction is well known [8][9][10][11]. Additionally, the aromatic compounds in diesel account to about 30% [12], and the most representative substance with a simple structure is toluene.…”