Publications

Production of low carbon gasoline-like fuels such as methanol-to-gasoline (MTG) is a promising approach to achieve rapid greenhouse gas emission reduction of the transportation sector. Despite the fact that gasoline that meets the ASTM D4814 standard for automotive spark-ignition engine fuel can be readily produced from these processes, it is unclear how the composition of MTG may affect engine performance and emissions. In this paper, a surrogate for an MTG is used to numerically study the effects of gasoline composition on knock propensity and on the sensitivity of knock to thermal and fuel stratification, to oxygen dilution and to nitric oxide from exhaust gas recirculation of residual gases. Simulations were performed in ANSYS CHEMKIN-PRO using a comprehensive chemical kinetic mechanism for gasoline surrogates, and results of the MTG surrogate were compared against those of a petroleum-based regular E10 gasoline, termed PACE-20. A premium-grade MTG fuel was also formulated by adding ethanol to the MTG surrogate, and results were compared against those of four premium-grade, gasoline-like fuels representative of future alternative gasoline formulations. Surrogates and mechanism were evaluated by comparison against experimental engine data, and the model showed high accuracy at stoichiometric conditions (mean absolute error of ignition timing equal to 1.46 crank angle degrees) but larger deviations at lean conditions (mean absolute error of ignition timing equal to 5.52 crank angle degrees). Despite the fact that the MTG surrogate has a RON 1.1 units higher than that of PACE-20, it may show higher knock propensity at medium temperature conditions due to a less intense NTC behavior. MTG autoignition was more temperature- and equivalence ratio-sensitive than that of PACE20, suggesting that MTG can benefit more from naturally-occurring thermal stratification or from induced fuel stratification of the end gas to mitigate knock intensity. The sensitivity of autoignition reactivity to oxygen dilution and to NO concentration was higher for MTG than for regular gasoline at medium loads, but the opposite trend was observed at high loads due to the effect of pressure on the low-temperature chemistry of regular gasoline. Approximately 14 %vol ethanol content was required to upgrade the octane rating of MTG from regular grade to premium grade. Adding 13.6 %vol ethanol made the fuel autoignition less sensitive to both oxygen dilution and NO content (ignition time varies approx. 17 % and 50 % less with oxygen dilution and NO addition, respectively, when adding ethanol at high engine loads).

Methanol emerges as a compelling renewable fuel for decarbonizing engine applications due to a mature industry with high production capacity, existing distribution infrastructure, low carbon intensity and favorable cost. Methanol's high flame speed and high autoignition resistance render it particularly well-suited for spark-ignition (SI) engines. Previous research showed a distinct phenomenon, known deflagration-based knock in methanol combustion, whereby knocking combustion was observed albeit without end-gas autoignition. This work studies the implications of deflagration-based knock on noise emissions by investigating the knock intensity and combustion noise at knock-limited operation of methanol in a single-cylinder direct-injection SI engine operated at both stoichiometric and lean (λ = 2.0) conditions. Results are compared against observations from a premium-grade gasoline. Experiments show that methanol's end-gas autoignition occurs at lean conditions, leading to the typical autoignition-based knock as that occurring with premium-grade gasoline. However, at stoichiometric conditions, knock-limited operation is achieved with deflagration-based knock. Noise of deflagration-based knock has lower variability than that of autoignition-based knock and it does not seem to be an issue at the engine speed tested experimentally in this paper (1400 rpm). However, computational fluid dynamic large eddy simulations show that deflagration-based knock may lead to high noise levels at 2000 rpm. Deflagration-based knock is insensitive to changing spark timings, so new knock mitigation strategies are required, such as adjusting the spark energy and/or adding dilution. Finally, this study shows that deflagration-based-knock may be directly impacted by the flame speed, occurring more frequently with faster-burning fuels or under conditions that elevate flame speeds, like rich-stoichiometric operation. The finding bears implications on renewable e-fuels, such as ethanol, methanol and hydrogen.

Surrogate fuels that reproduce the characteristics of full-boiling range fuels are key tools to enable numerical simulations of fuel-related processes and ensure reproducibility of experiments by eliminating batch-to-batch variability. Within the PACE initiative, a surrogate fuel for regular-grade E10 (10%vol ethanol) gasoline representative of a U.S. market gasoline, termed PACE-20, was developed and adopted as baseline fuel for the consortium. Although extensive testing demonstrated that PACE-20 replicates the properties and combustion behavior of the full-boiling range gasoline, several concerns arose regarding the purity level required for the species that compose PACE-20. This is particularly important for cyclo-pentane, since commercial-grade cyclo-pentane typically shows 60%-85% purity. In the present work, the effects of the purity level of cyclo-pentane on the properties and combustion characteristics of PACE-20 were studied. Chemical kinetic simulations were performed to predict the effects of cyclo-pentane impurities on the properties, octane rating, and autoignition reactivity under homogeneous charge compression-ignition conditions of PACE-20. From the numerical results, cyclo-pentane with 85% purity or higher is required to reasonably match both the research octane number and motor octane number of the target gasoline. Finally, homogeneous charge compression-ignition engine simulations show that impurities have only a modest effect on reactivity at naturally aspirated conditions, but cyclo-pentane purity is critical to properly replicate the pressure dependency of the reactivity.

Abstract not provided.