ABSTRACT
The combustion properties of a gasoline-like blend of pentene isomers were determined using multiple types of experimental measurements. The representative mixture (Mix A) is composed of 5.7% 1-pentene (1-C5H10), 39.4% 2-pentene (2-C5H10), 12.5% 2-methyl-1-butene (2M1B), and 42.4% 2-methyl-2-butene (2M2B) (% mol). Laminar flame speeds were measured at equivalence ratios of 0.7-1.5 in a constant-volume combustion chamber, and ignition delay times (including both OH* and CH* diagnostics) as well as CO time-history profiles were performed in shock tubes, in highly diluted mixtures (0.995 He/Ar), at a stoichiometric condition for temperatures ranging from 1350 to 1750 K, and at near-atmospheric pressure. Two additional unbalanced mixtures removing either 2M2B (Mix B) or 2-C5H10 (Mix C) were studied in a shock tube to collect CO time histories, representing the most stringent validation constraints, as these two pentenes constitute the biggest proportions in Mix A and exhibit opposite behaviors in terms of reactivity due to their chemical structure differences. Numerical predictions using a recent validated chemical kinetics mechanism encompassing all pentene isomers from Grégoire et al. ( Fuel2022, 323, 124223) are presented. The use of a complex blend of four pentene isomers in the present paper provided a capstone test of the current mechanism's ability to model pentene-isomer combustion chemistry, with very good results that reflect positively on the current state of the art in pentene isomer kinetics modeling.
ABSTRACT
The influence of methanol and butanol on soot formation during the pyrolysis of a toluene primary reference fuel mixture with a research octane number (RON) of 91 (TPRF91) was investigated by conducting shock-tube experiments. The TPRF91 mixture contained 17 mol % n-heptane, 29 mol % iso-octane, and 54 mol % toluene. To assess the contribution of individual fuel compounds on soot formation during TPRF91 pyrolysis, the pyrolysis of argon diluted (1) toluene, (2) iso-octane, and (3) n-heptane mixtures were also studied. To enable the interpretation of the TPRF91 + methanol and TPRF91 + butanol experiments, the influence of both alcohols on soot formation during the thermal decomposition of toluene and iso-octane was also investigated in a separate series of measurements. Pyrolysis was monitored behind reflected shock waves at pressures between 2.1 and 4.2 bar and in the temperature range of 2060-2815 K. Laser extinction at 633 nm was used to determine the soot yield as a function of reaction time. For selected experiments, the temporal variation in temperature was also measured via time-resolved two-color CO absorption using two quantum-cascade lasers at 4.73 and 4.56 µm. It was found that soot formed during TPRF91 pyrolysis is primarily caused by the thermal decomposition of toluene. Adding methanol to TPRF91 results in a slight reduction of soot formation, whereas admixing butanol results in shifting soot formation to higher temperatures, but in that case, no overall soot reduction was observed during TPRF91 pyrolysis. Measured soot yields were compared to simulations based on a previous and an updated version of a detailed reaction mechanism from the CRECK modeling group [Nobili, A.; Cuoci, A.; Pejpichestakul, W.; Pelucchi, M.; Cavallotti, C.; Faravelli, T. Combust. Flame 2022; 10.1016/j.combustflame.2022.112073]. Rate-of-production analyses for reactions involving BINS at different experimental conditions were carried out. Although in the case of TPRF91 and toluene pyrolysis, no quantitative agreement was obtained between the experiment and simulation, the comparison nevertheless shows that the new version of the CRECK mechanism is a significant improvement over the previous one. In the case of n-heptane decomposition and iso-octane pyrolysis with and without alcohols, the updated reaction mechanism shows excellent agreement between simulation and measured soot yields.
