A consistent chemical mechanism for oxidation of substituted aromatic species

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

“…Starting with the small alkylbenzenes, measurements and modeling studies have been performed for ignition delay times for toluene [4]- [12], ethylbenzene [9]- [14], xylenes [9][12] [14]- [17] and n-propylbenzene [9][10] [18]- [20] at various temperatures and pressures. In the case of n-butyl benzene, ignition characteristics as well as flame characteristics have been studied.…”

“…A more extensive description of heavier aromatic species, such as indene and naphthalene has also been introduced, including the reactions leading to the formation and the subsequent oxidation of naphthalene and indene. The sub-mechanism for these polycyclic aromatic species has been derived from the Narayanaswamy et al mechanism [12]. A more detailed discussion on the changes introduced in the toluene submechanism can be found in [44].…”

Advanced Biofuels and Beyond: Chemistry Solutions for Propulsion and Production

“…[136,137] TheC /H ratio is particularly important, since it correlates with the adiabatic flame temperature and is,t herefore,c rucial for NO x formation, but it was also shown to correlate well with hightemperature auto-ignition and to ac ertain degree with burning velocities. [136] Many chemical kinetics schemes for components of different surrogates have been developed, most importantly for n-heptane, [138] isooctane, [139] n-dodecane, [140][141][142] and an umber of alkylated aromatic components [143,144] as well as gasoline surrogate mixtures including ethanol. [145] In the last study it was shown that the C/H ratio can be matched with specified values of both the RON and MON by changing the composition of the blend;t his is an important result since the difference of RON and MON was shown to be relevant for engine knock [146] and it can, thereby, be represented using detailed chemical kinetics.…”

Evaporation and combustion of multicomponent fuel droplets

“…Jet-A is used as liquid fuel, and a one-component fuel (n-decane (C 10 H 22 )), a twocomponent fuel (n-decane (C 10 H 22 ) 82.6 wt%, 1,2,4-trimethyl-benzene (C 9 H 12 ) 17.4 wt%) [34] and a three-component fuel (n-dodecane (C 12 H 26 ) 45 wt%, iso-octane (C 8 H 18 ) 29 wt%, toluene (C 7 H 8 ) 26 wt%) [35][36][37] are used as the surrogate fuels of Jet-A. For the calculation of reaction, 113 species and 891 reactions for the one-and two-component fuels [34] and 273 species and 2322 reactions for the three-component fuel [35][36][37] are considered, respectively.…”

“…For the calculation of reaction, 113 species and 891 reactions for the one-and two-component fuels [34] and 273 species and 2322 reactions for the three-component fuel [35][36][37] are considered, respectively.…”