Model‐based fuel design can tailor fuels to advanced engine concepts while minimizing environmental impact and production costs. A rationally designed ketone‐ester‐alcohol‐alkane (KEAA) blend for high efficiency spark‐ignition engines was assessed in a multi‐disciplinary manner, from production cost to ignition characteristics, engine performance, ecotoxicity, microbial storage stability, and carbon footprint. The comparison included RON 95 E10, ethanol, and two previously designed fuels. KEAA showed high indicated efficiencies in a single‐cylinder research engine. Ignition delay time measurements confirmed KEAA's high auto‐ignition resistance. KEAA exhibits a moderate toxicity and is not prone to microbial infestation. A well‐to‐wheel analysis showed the potential to lower the carbon footprint by 95 percent compared to RON 95 E10. The findings motivate further investigations on KEAA and demonstrate advancements in model‐based fuel design.

The shift from fossil to renewable fuels presents an opportunity to tailor a fuel’s molecular structure and composition to the needs of advanced internal combustion engine concepts, while simultaneously aiming for economic and sustainable fuel production. We have recently proposed a method for computer-aided design of tailor-made fuels that integrates aspects of both product and production pathway design. The present paper sets out to sequentially combine that method with experimental investigation on a single cylinder research engine and model-based early-stage process evaluation to create, validate, and benchmark a rationally designed multi-component biofuel for highly boosted spark-ignition engines. To this end, the computer-aided design approach is applied to a network of possible fuel components and their production pathways. The resulting optimal four-component fuel EBCC (50 mol% ethanol, 21 mol% 2-butanone, 15 mol% cyclopentane, and 14 mol% cyclopentanone) is analyzed with regard to combustion performance and estimated fuel production cost. Variations of both the indicated mean effective pressure and the relative air/fuel ratio were performed on an engine equipped with a compression ratio of 14.7. EBCC achieves indicated efficiencies that are significantly higher than those of RON 102 gasoline fuel and comparable to those of pure 2-butanone, an extremely knock-resistant fuel identified in a previous round of model-based fuel design. Furthermore, a strong reduction in engine-out soot emissions is observed compared to RON 102 gasoline. Early-stage process evaluation shows EBCC to have lower estimated fuel production costs than 2-butanone. Production costs of pure ethanol, however, are estimated to be even lower, mainly due to lower plant investment costs and a synthesis pathway that does not require hydrogen. The paper concludes with a brief perspective on further integration of the proposed sequential approach with the goal of co-optimizing the production and combustion of renewable fuel blends.

Besides electrification of the powertrain, new synthetic alternative fuels with the potential to be produced from renewable sources come into focus. Methanol is the most elementary liquid synthetic fuel and no novelty for use in internal combustion engines. This article presents pathways to achieve high efficiency spark-ignition methanol combustion on a direct injection spark-ignition single-cylinder research engine with two different stroke-to-bore ratios (1.2 and 1.5) and a constant bore. In addition, two compression ratios (CRs) were investigated on each setup: CR = 10.8 using RON95 E10 gasoline fuel and a higher CR = 15 using neat methanol. In contrast to previous studies of stroke-to-bore ratio influences on SI combustion, this article aims at demonstrating how the advantages of a high stroke-to-bore ratio can be exploited by combining a long-stroke engine with increased compression ratios and methanol. The increased stroke enhances the tumble motion due to a higher piston speed and a larger compression volume which improves the mixture homogenization and combustion velocity. Moreover, the lower surface/volume ratio results in a reduced heat transfer. When using RON95E10 gasoline fuel and CR = 10.8, an efficiency gain of up to 1.6% could be achieved with the long-stroke compared to the short-stroke especially at lower engine loads. With methanol and CR = 15, an efficiency gain of up to 1.6% could be achieved with the long-stroke setup compared to the short-stroke engine. Subsequently, lean burn conditions were experimentally investigated with methanol and CR = 15. The longer stroke allowed the lean burn limit to be extended from λ = 1.9 to λ = 2.0 with an efficiency gain of up to 2.2%. A maximum indicated efficiency of 47.4% could be achieved at λ = 1.9 with methanol on the long-stroke engine with CR = 15.

A shift toward a circular and [Formula: see text]-neutral world is required, in which rapid defossilization and lower emissions are realized. A promising alternative fuel that has gained traction is methanol, thanks to its favorable and clean-burning fuel properties as well as its ability to be produced in a carbon-neutral process. Especially methanol’s high knock resistance and its combustion stability offer the opportunity to operate an engine at both a high compression ratio and a high excess air dilution. Although methanol has been investigated in series-production engines for passenger car applications, there is a lack of investigations on a dedicated engine that can operate at methanol’s knock limit. In this paper, methanol’s knock limitation is experimentally assessed by applying high compression ratios to a direct injection spark-ignition single-cylinder research engine. To that end, four compression ratios were investigated: 10.8, 15.0, 17.7, and 20.6. With compression ratios of 15.0 and 17.7, the lean-limit was increased to excess air ratios of 2.0 and 2.1, respectively, compared to 1.7 at a compression ratio of 10.8. For the highest compression ratio of 20.6, the maximum lean burn limit was increased to an excess air ratio of 1.9 due to achieving the maximum cylinder pressure limit. Despite the minor increase in lean-limit, a maximum indicated efficiency of 48.7% was achieved with the highest compression ratio of 20.6. However, even at this high compression ratio, methanol did not show a knock limitation. The investigations in this work provide profound knowledge for future engine investigations with methanol.

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Several studies have shown that oxygenated fuels significantly reduce soot emissions in combustion systems. Thus, it is important to understand the role a molecule plays in soot formation. In this paper, smoke point measurements were performed to assess the sooting tendency of different compounds. Threshold sooting index (TSI) values were derived and used to establish a soot rating scale. Furthermore, a TSI prediction model based on a modified Joback−Reid (JR) group contribution method (GCM) was developed. The TSI experimental determination showed that (1) a saturated carbon exhibited the highest soot suppression potential among the hydrocarbon functional groups;(2) at comparable carbon content, aromatics had the highest TSIs followed by cyclic hydrocarbons, iso-alkanes, and n-alkanes; and (3) among the oxygenated functional groups, the aldehyde group generally had the highest tendency to reduce soot followed by ketone, hydroxyl, and ether. A soot reduction was induced by the oxygenated additives mainly owing to a dilution effect exerted by the hydrocarbon functional groups on the aromatic content of the surrogate diesel blend. The reduction increased with the amount of the additive fuel and diminished with an increasing carbon unsaturation level. The substitution effect introduced by the oxygen functional groups had a secondary role and featured a larger impact when an oxygen atom was included in paraffinic structures. Among furanics, the number and position of double carbon to carbon bonds in the ring affected the soot formation tendency. The modified JR GCM allowed predicting TSIs with a high confidence level for both hydrocarbons and oxygenated functional groups. It featured a higher prediction accuracy and a lower model complexity than other models found in the previous literature. This was achieved by introducing ad hoc descriptors for unsaturated compounds, describing conjugation, double carbon to carbon bond frequency, and allylic groups. The oxygen to carbon bond type demonstrated a significant role in soot suppression of oxygen-centered functional groups.

<div class="section abstract"><div class="htmlview paragraph">Prospective combustion engine applications require the highest possible energy conversion efficiencies for environmental and economic sustainability. For conventional Spark-Ignition (SI) engines, the quasi-hemispherical flame propagation combustion method can only be significantly optimized in combination with high excess air dilution or increased combustion speed. However, with increasing excess air dilution, this is difficult due to decreasing flame speeds and flammability limits. Pre-Chamber (PC) initiated jet ignition combustion systems significantly shift the flammability and flame stability limits towards higher dilution areas due to high levels of introduced turbulence and a significantly increased flame area in early combustion stages, leading to considerably increased combustion speeds and high efficiencies. By now, vehicle implementations of PC-initiated combustion systems remain niche applications, especially in combination with lean mixtures. This is also due to challenges regarding cold-start, combustion stability at low loads, and emissions. Nevertheless, PC ignition systems allow overall engine efficiencies &gt;45%. Therefore, a market launch of an engine using globally lean mixtures ignited by a PC system is desirable. This requires a fast-running and predictive physical model to conduct robust design studies and complement existing testing methodologies (3D-CFD, experimental). This paper addresses the development of a quasi-dimensional burn rate model for PC ignition combustion systems. The presented modeling approach combines the well-established two-zone entrainment model (main-chamber) with a semi-empirical PC model that aims to detect the PC influence on the main-chamber combustion. Dedicated models predict the impact of the jet-induced turbulence and the increased flame area. The models are integrated into the so-called cylinder module developed at IFS (Institute of Automotive Engineering Stuttgart). For the model validation, measurement data of a single-cylinder research engine using different fuels (E100¹, RON95E10²), loads (<i>IMEP</i> = 6 − 15 <i>bar</i>), excess air dilutions (<i>λ</i> = 1 − 2) and compression ratios (16.4¹, 12.6²) are used, showing a satisfactory prediction of the burn rate and pressure curve.</div></div>