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The present work describes the numerical modeling of medium-speed marine engines, operating in a fumigated dual-fuel mode, i.e. with the second fuel injected in the ports. This engine technology allows reducing engine-out emissions while maintaining the engine efficiency and can be fairly easily retrofitted from current diesel engines. The main premixed fuel that is added can be a low-carbon one and can additionally be of a renewable nature, thereby reducing or even completely removing the global warming impact. To fully optimize the operational parameters of such a large marine engine, computational fluid dynamics can be very helpful. Accurately describing the combustion process in such an engine is key, as the prediction of the heat release and the pollutant formation is crucial. Auto-ignition of the diesel fuel needs to be captured, followed by the combustion and flame propagation of the premixed fuel.

The literature on hydrogen fueled internal combustion engines is surprisingly extensive and papers have been published continuously from the 1930's up to the present day. Ghent University has been working on hydrogen engines for more than a decade. A summary of the most important findings, resulting from a literature study and the experimental work at Ghent University, is given in the present paper, to clarify some contradictory claims and ultimately to provide a comprehensive overview of the design features in which a dedicated hydrogen engine differs from traditionally fueled engines. Topics that are discussed include abnormal combustion (backfire, pre-ignition and knock), mixture formation techniques (carbureted, port injected, direct injection) and load control strategies (power output versus NOx trade-off).

Models for the convective heat transfer from the combustion gases to the walls inside a spark ignition engine are an important keystone in the simulation tools which are being developed to aid engine optimization. The existing models have, however, been cited to be inaccurate for hydrogen, one of the alternative fuels currently investigated. One possible explanation for this inaccuracy is that the models do not adequately capture the effect of the gas properties. These have never been varied in a wide range because air and ‘classical’ fossil fuels have similar values, but they are significantly different in the case of hydrogen. As a first step towards a fuel independent heat transfer model, we have investigated the effect of the gas properties on the heat flux in a spark ignition engine.

In this work, the possibility to perform a cold-flow simulation as a way to improve the accuracy of the starting conditions for a combustion simulation is examined. Specifically, a dual-fuel marine engine running on methanol/diesel and natural gas/diesel fueling conditions is investigated. Dual-fuel engines can provide a short-term solution to cope with the more stringent emission legislations in the maritime sector. Both natural gas and methanol appear to be interesting alternative fuels that can be used as main fuel in these dual-fuel engines. Nevertheless, it is observed that combustion problems occur at part load using these alternative fuels. Therefore, different methods to increase the combustion efficiency at part load are investigated. Numerical simulations prove to be very suitable hereto, as they are an efficient way to study the effect of different parameters on the combustion characteristics.

Lean operation is a promising approach to increase the engine efficiency. One of the main challenges for lean-burn technology is the combustion instability. Using a high laminar burning velocity fuel such as methanol might solve that problem. The potential of lean-burn limit extension with methanol was investigated through a comparison with conventional gasoline. In this work, a direct injection turbocharged SI engine was operated at wide open throttle (WOT), with the load controlled by a lean-burn strategy. The amount of fuel was decreased (or lambda increased) until the combustion became unstable. For methanol, the lambda limit was about 1.5, higher than the lambda limit for gasoline which was only about 1.2. The brake thermal efficiency for methanol increased as lambda increased and reached its peak at ~41% in a lambda range of 1.2-1.4. Then, the efficiency decreased as lambda increased.

Interest in alternative fuels is motivated by concerns for greenhouse gas accumulation, air quality, security of energy supply and of course the non-stop increasing crude oil and natural gas prices. Hydrogen usage can be a solution for these problems. Hydrogen plays the role of an energy carrier that has two major advantages: it can be generated from many sources and it is very clean in its use. One end-use technology that can handle hydrogen is the well-known internal combustion engine (ICE). However, before this technology can be put to use, it needs to be able to compete with conventionally fuelled power units. Particularly in terms of specific power output and NOX emissions, development work needs to be done. In the work described in this paper the main focus is on the combustion strategies for high efficiency and low NOx emissions. A comparison is made between lean burn and EGR (exhaust gas recirculation) strategies.

Knock is one of the main factors limiting the efficiency of spark-ignition engines. The introduction of alternative fuels with elevated knock resistance could help to mitigate knock concerns. Alcohols are prime candidate fuels and a model that can accurately predict their autoignition behavior under varying engine operating conditions would be of great value to engine designers. The current work aims to develop such a model for neat methanol. First, an autoignition delay time correlation is developed based on chemical kinetics calculations. Subsequently, this correlation is used in a knock integral model that is implemented in a two-zone engine code. The predictive performance of the resulting model is validated through comparison against experimental measurements on a CFR engine for a range of compression ratios, loads, ignition timings and equivalence ratios.

Methanol fueled spark ignition (SI) engines have the potential for very high efficiency using an advanced heat recovery system for fuel reforming. In order to allow simulation of such an engine system, several sub-models are needed. This paper reports the development of two laminar burning velocity correlations, corresponding to two reforming concepts, one in which the reformer uses water from an extra tank to produce hydrogen rich gas (syngas) and another that employs the water vapor in the exhaust gas recirculation (EGR) stream to produce reformed-EGR (R-EGR). This work uses a one-dimensional (1D) flame simulation tool with a comprehensive chemical kinetic mechanism to predict the laminar burning velocities of methanol/syngas blends and correlate it. The syngas is a mixture of H2/CO/CO2 with a CO selectivity of 6.5% to simulate the methanol steam reforming products over a Cu-Mn/Al catalyst.

In the search for sustainable transportation fuels that are not in competition with food production, considerable efforts are made in the development of so-called second-generation (2G) biofuels. This paper looks into the results of a novel 2G biofuel production technique that is based on a catalytic process that operates at low temperature and that converts woody biomass feedstock into a stable light naphtha. The process development is integrated in the Belgian federal government funded Ad-Libio project and the process outcome is mainly consisting of hydrocarbons containing five to six carbon atoms. Their composition can be altered, resulting in a large amount of different possible fuel blends. The ultimate goal is to produce a drop-in fuel that can be fully interchanged with the gasoline fuels in use today. This is a challenge, since the Ad-Libio fuel components differ significantly from gasoline fuel components.

Methanol is gaining traction in some regions, e.g. for road transportation in China and for marine transportation in Europe. In this research, the possibility for achieving higher power output and higher efficiency with methanol, compared to gasoline, is investigated and the influence of several engine settings, such as valve timing and intake boost control, is studied. At wide open throttle (WOT), engine speed of 1650 rpm, the brake mean effective pressure (BMEP) of the methanol-fueled engine is higher than on gasoline, by around 1.8 bar. The maximum BMEP is further increased when positive valve overlap and higher intake boost pressure are applied. Thanks to a lower residual gas fraction, and a richer in-cylinder mixture with positive valve overlap period, the engine BMEP improves by a further 2.6 bar. Because of higher volumetric efficiency with a boosted intake air, the engine BMEP enhances with 4.7 bar.

The use of methanol as spark-ignition engine fuel can help to increase energy security and offers the prospect of carbon neutral transport. Methanol's properties enable considerable improvements in engine performance, efficiency and CO2 emissions compared to gasoline operation. SAE paper 2012-01-1283 showed that both flex-fuel and dedicated methanol engines can benefit from an operating strategy employing exhaust gas recirculation (EGR) to control the load while leaving the throttle wide open (WOT). Compared to throttled stoichiometric operation, this reduces pumping work, cooling losses, dissociation and engine-out NOx. The current paper presents follow-up work to determine to what extent these advantages still stand over an entire drive cycle. The average vehicle efficiency, overall CO2 and NOx emissions from a flexible fuel vehicle completing a drive cycle on gasoline and methanol were evaluated.

Hydrogen-fueled internal combustion engines equipped with port fuel injection offer a cheap alternative to fuel cells and can be run in bi-fuel operation side-stepping the chicken and egg problem of availability of hydrogen fueling station versus hydrogen vehicle. Hydrogen engines with external mixture formation have a significantly lower power output than gasoline engines. The main causes are the lower volumetric energy density of the externally formed hydrogen-air mixture and the occurrence of abnormal combustion phenomena (mainly backfire). Two engine test benches were used to investigate different means of compensating for this power loss, while keeping oxides of nitrogen (NOx) emissions limited. A single cylinder research engine was used to study the effects of supercharging, combined with exhaust gas recirculation (EGR). Supercharging the engine results in an increase in power output.

The use of light alcohols as SI engine fuels can help to increase energy security and offer the prospect of carbon neutral transport. These fuels enable improvements in engine performance and efficiency as several investigations have demonstrated. Further improvements in efficiency can be expected when switching from throttled stoichiometric operation to strategies using mixture richness or exhaust gas recirculation (EGR) to control load while maintaining wide open throttle (WOT). In this work the viability of throttleless load control using EGR (WOT EGR) or mixture richness (WOT lean burn) as operating strategies for methanol engines was experimentally verified. Experiments performed on a single-cylinder engine confirmed that the EGR dilution and lean burn limit of methanol are significantly higher than for gasoline. On methanol, both alternative load control strategies enable relative indicated efficiency improvements of about 5% compared to throttled stoichiometric operation.

Stricter CO2 and emissions regulations are pushing spark ignition engines more and more towards downsizing, enabled through direct injection and turbocharging. The advantages which come with direct injection, such as increased charge density and an elevated knock resistance, are even more pronounced when using low carbon number alcohols instead of gasoline. This is mainly due to the higher heat of vaporization and the lower air-to-fuel ratio of light alcohols such as methanol, ethanol and butanol. These alcohols are also attractive alternatives to gasoline because they can be produced from renewable resources. Because they are liquid, they can be easily stored in a vehicle. In this respect, the performance and engine-out emissions (NOx, CO, HC and PM) of methanol, ethanol and butanol were examined on a 4 cylinder 2.4 DI production engine and are compared with those on neat gasoline.

In order to reduce the carbon footprint of the Internal Combustion Engine (ICE), biofuels have been in use for a number of years. One of the problems with first-generation (1G) biofuels however is their competition with food production. In search of second-generation (2G) biofuels, that are not in competition with food agriculture, a novel biorefinery process has been developed to produce biofuel from woody biomass sources. This novel technique, part of the Belgian federal government funded Ad-Libio project, uses a catalytic process that operates at low temperature and is able to convert 2G feedstock into a stable light naphtha. The bulk of the yield consists out of hydrocarbons containing five to six carbon atoms, along with a fraction of oxygenates and aromatics. The oxygen content and the aromaticity of the hydrocarbons can be varied, both of which have a significant influence on the fuel’s combustion and emission characteristics when used in Internal Combustion Engines.

Despite the increasing number of electrified vehicles the transportation system still largely depends on the use of fossil fuels. One way to more rapidly reduce the dependency on fossil fuels in transport is to replace them with biofuels. Evaluating the potential of different biofuels in different applications requires knowledge of their physicochemical properties. In chemistry, message passing neural networks (MPNNs) correlating the atoms and bonds of a molecule to properties have shown promising results in predicting the properties of individual chemical components. In this article a machine learning approach, developed from the message passing neural network called Chemprop, is evaluated for the prediction of multiple properties of organic molecules (containing carbon, nitrogen, oxygen and hydrogen). A novel approach using transfer learning based on estimated property values from theoretical estimation methods is applied.

Methanol has recently emerged as a promising fuel for internal combustion engines due to its multiple carbon-neutral production routes and advantageous properties when combusting. Methanol is intrinsically more suitable for spark-ignition (SI) operation thanks to its high octane number, but its potential in heavy-duty applications also encourages engine manufacturers in this field to retrofit their existing compression-ignition products into methanol/diesel dual-fuel (DF) operation. For both SI operation and DF operation, injecting methanol into the engine’s intake path at low pressure is a relatively simple and robust method to introduce methanol into the cylinders. However, the much higher heat of vaporization (HoV) of methanol compared to conventional SI fuels like gasoline can be a double-edged sword.

Methanol is a promising fuel for future spark-ignition engines. Its properties enable increased engine efficiency. Moreover, the ease with which methanol can be reformed, using waste exhaust heat, potentially offers a pathway to even higher efficiencies. The primary objective of this study was to build and validate a model for a methanol fueled direct-injection spark-ignition engine with on-board fuel reforming for future investigation and optimization. The second objective was to understand the combustion characteristics, energy losses and engine efficiency. The base engine model was developed and calibrated before adding a reformed-exhaust gas recirculation system (R-EGR). A newly developed laminar burning velocity correlation with universal dilution term was implemented into the model to predict the laminar burning velocity with the presence of hydrogen in the reforming products.

The use of renewable fuels such as hydrogen and methanol in marine engines is a promising way to reduce greenhouse gas emissions from maritime transport. Hydrogen and methanol can be used as the main fuel in dual-fuel engines. However, the co-combustion of hydrogen-diesel and methanol-diesel needs to be carefully studied. In the present work, the ignition delay (ID) and laminar burning velocity (LBV) for pilot-ignited dual fuel engine operation with hydrogen or methanol are studied. A constant volume batch reactor numerical setup is used in the open source Cantera code to calculate the effect of the premixed fuel on the ID of the pilot fuel. Also, Cantera is used to simulate a freely-propagating, adiabatic, 1-D flame to estimate the laminar flame speed of either hydrogen or methanol and how it is affected by the presence of pilot fuel. First, suitable chemical kinetic schemes are selected based on experimental data collected from the literature.

Using liquid alcohols, such as methanol and ethanol, in spark-ignition engines is a promising approach to decarbonize transport and secure domestic energy supply. Methanol and ethanol are compatible with the existing fuelling and distribution infrastructure and are easily stored in a vehicle. They can be used in internal combustion engines with only minor adjustments and have the potential to increase the efficiency and decrease noxious emissions compared to gasoline engines. In addition, methanol can be synthesized from a wide variety of sources, including renewably produced hydrogen in combination with atmospheric CO₂. Presently, during the production of ethanol or methanol a dehydration step is always applied. This step accounts for a significant part of the entire production process' energy consumption and thus, from an economical point of view, methanol and ethanol could become more interesting alternative fuels if the costs related with dehydration could be reduced.