Speciation measurements in shock tubes for validation of complex chemical kinetics mechanisms: Application to 2-Methyl-2-Butene oxidation

Laminar Flame Speed, Ignition Delay Time, and CO Laser Absorption Measurements of a Gasoline-like Blend of Pentene Isomers

“…With regard to the laminar flame speed results, comparisons with multiple pentenes were performed in Cheng et al and Farrell et al with three (1-C 5 H 10 , 2-C 5 H 10 , and 2M2B) and four (1-C 5 H 10 , 2-C 5 H 10 , 2M1B, and 2M2B) isomers, respectively. Finally, a good range of pressures and temperatures can be found for speciation studies, and time-history profiles for both CO and H 2 O were recorded for all five pentene isomers at the exact same initial condition for the first time in a series of pentene isomers articles by the present authors. ,,, Grégoire et al developed a validated chemical kinetics mechanism encompassing all pentene isomers: some reactions have been previously modified, in particular the branched allylic C 5 H 9 species with OH and HO 2 among others, following ab initio theoretical analysis by Goldsmith et al to determine the reaction rates on the reaction of C 3 H 5 with HO 2 . For convenience, a list of these reactions is available in Supporting Information S1.…”

“…Over the past few years, a large number of studies were devoted to olefins for gasoline fuel applications. More particularly, the combustion chemistry of the pentene isomers, 1-pentene (1-C 5 H 10 ), − 2-pentene (2-C 5 H 10 ), − ,− 2-methyl-1-butene (2M1B), ,− 2-methyl-2-butene (2M2B), ,,,,, and 3-methyl-1-butene (3M1B), ,, was investigated. Graphical representations of the experimental database from the literature are shown in Figure for (a) ignition delay times in shock tubes (ST) and rapid compression machines (RCM); (b) laminar flame speeds in combustion vessels; (c) speciation in flow reactors, jet-stirred reactors (JSR), and low-pressure burners (LPB); and, (d) single-pulse ST, and time-history profiles in ST. All the results are reported as functions of temperature and pressure, describing the range of experimental conditions.…”

“…Finally, a good range of pressures and temperatures can be found for speciation studies, and timehistory profiles for both CO and H 2 O were recorded for all five pentene isomers at the exact same initial condition for the first time in a series of pentene isomers articles by the present authors. 19,24,26,27 Greǵoire et al developed a validated chemical kinetics mechanism encompassing all pentene isomers: some reactions have been previously modified, in particular the branched allylic C 5 H 9 species with OH and HO 2 among others, following ab initio theoretical analysis by Goldsmith et al 28 to determine the reaction rates on the reaction of C 3 H 5 with HO 2 .…”

“…Rate constant of key reactions for the initial model compared to the updated version (Figure S1); CO and H 2 O time histories for four pentene isomers (Figures S2a,b); detailed mixture compositions (Table S2); modeling of laminar flame speeds from the literature (Figure S4); OH* and CH* entire set of profiles (Figure S5); all CO profiles for Mix A (Figure S6) (PDF)…”

Experimental Investigation of the Combustion Properties of an Average Thermal Runaway Gas Mixture from Li-Ion Batteries

“…38 The temperature change was limited to ∼50− 60 K, which led to a minor change in the final H 2 O mole fraction (typically ∼4−7%). Further detail on the procedures utilized in processing the laser absorption signals to deduce the H 2 O mole fraction can be found in Alturaifi et al 39 2.4. Laminar Flame Speed Measurements.…”