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The increasing need to reduce greenhouse gas emissions and shift away from fossil fuels has raised an interest for methanol. Methanol can be produced from renewable sources and can drastically lower soot emissions from compression ignition engines (CI). As a result, research and development efforts have intensified focusing on the use of methanol as a replacement for diesel in CI engines. The issue with methanol lies in the fact that methanol is challenging to ignite through compression alone, particularly at low-load and cold starts conditions. This challenge arises from methanol's high octane number, low heating value, and high heat of vaporization, all of which collectively demand a substantial amount of heat for methanol to ignite through compression.

The growing demand to lower greenhouse gas emissions and transition from fossil fuels, has put methanol in the spotlight. Methanol can be produced from renewable sources and has the property of burning almost soot-free in compression ignition (CI) engines. Consequently, there has been a notable increase in research and development activities directed towards exploring methanol as a viable substitute for diesel fuel in CI engines. The challenge with methanol lies in the fact that it is difficult to ignite through compression alone, particularly in low-load and cold start conditions. This difficulty arises from methanol's high octane number, relatively low heating value, and high heat of vaporization, collectively demanding a considerable amount of heat for methanol to ignite through compression. Previous studies have addressed the use of a pilot injection in conjunction with a larger main injection to lower the required intake air temperature for methanol to combust at low loads.

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.

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.

The worldwide adoption of renewable energy mandates, together with the widespread utilization of biofuels has created a sharp increase in the production of biodiesel (fatty acid alkyl esters). As a consequence, the production of glycerol, the main by-product of the transesterification of fatty acids, has increased accordingly, which has led to an oversupply of that compound on the markets. Therefore, in order to increase the sustainability of the biodiesel industry, alternative uses for glycerol need to be explored and the production of fuel additives is a good example of the so-called glycerol valorization. The goal of this study is therefore to evaluate the suitability of a number of glycerol-derived compounds as diesel fuel additives. Moreover, this work concerns the assessment of low-concentration blends of those glycerol derivatives with diesel fuel, which are more likely to conform to the existing fuel standards and be used in unmodified engines.

Non-Road Mobile Machinery (NRMM) incorporates a wide variety of machines not intended for the transport of passengers or goods on the road. This includes small gardening equipment, construction, mining, agricultural, and forestry machinery up to locomotives and inland waterway vessels, mostly using an internal combustion engine. NRMM was often overlooked and neglected in the past when considering pollutant and greenhouse gas emissions. Due to their high diversity, they are hard to categorize, resulting in a lack of available data. As emissions from road transport are being tackled by regulations, the emissions of NRMM become an increasing part of total transport emissions. An alternative to fossil fuels will be required for the energy supply of NRMM to fully commit to the CO2 reduction goals, and to fulfil the future requirements of legislators and public opinion.

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.

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.

A modern diesel engine is a reliable and efficient mean of producing power. A way to reduce harmful exhaust and greenhouse gas (GHG) emissions and secure the sources of energy is to develop technology for an efficient diesel engine operation independent of fossil fuels. Renewable diesel fuels are compatible with diesel engines without any major modifications. Rapeseed oil methyl esters (RME) and other fatty acid methyl esters (FAME) are commonly used in low level blends with diesel. Lately, hydrotreated vegetable oil (HVO) produced from vegetable oil and waste fat has found its way into the automotive market, being approved for use in diesel engines by several leading vehicle manufacturers, either in its pure form or in a mixture with the fossil diesel to improve the overall environmental footprint. There is a lack of data on how renewable fuels change the semi-volatile organic fraction of exhaust emissions.

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.

In the challenge to reduce CO2, NOx and PM emissions, the application of natural gas or biogas in engines is a viable approach. In heavy duty and marine, either a conventional dual fuel (CDF), or a reactivity-controlled compression ignition (RCCI) approach is feasible on existing diesel engines. In both technologies a pilot diesel injection is used to ignite the premixed natural gas. However, the influence of injection-timing and -pressure on the start of combustion timing (SOC) is opposite between both modes. For a single operating point these relations can be explained by a detailed CFD simulation, but an intuitive overall explanation is lacking. This makes it difficult to incorporate both modes into one engine application, using a single controller. In an experimental campaign by the authors, on a medium speed engine, the lowest emissions were found to be very close to the SOC corresponding to the transition from RCCI to CDF.

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.

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.

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.

Partially premixed combustion (PPC) is one of several advanced combustion concepts for the conventional diesel engine. PPC uses a separation between end of fuel injection and start of combustion, also called ignition dwell, to increase the mixing of fuel and oxidizer. This has been shown to be beneficial for simultaneously reducing harmful emissions and fuel consumption. The ignition dwell can be increased by means of exhaust gas recirculation or lower intake temperature. However, the most effective means is to use a fuel with high research octane number (RON). Methanol has a RON of 109 and a recent study found that methanol can be used effectively in PPC mode, with multiple injections, to yield high brake efficiency. However, the early start of injection (SOI) timings in this study were noted as a potential issue due to increased combustion sensitivity. Therefore, the present study attempts to quantify the changes in engine performance for different injection strategies.

Low temperature combustion concepts used in compression ignition engines have shown to be able to produce simultaneous reduction of oxides of nitrogen and soot as well as generating higher gross indicated efficiencies compared to conventional diesel combustion. This is achieved by a combination of premixing, dilution and optimization of combustion phasing. Low temperature combustion can be complemented by moving away from fossil fuels in order to reduce the net output of CO2 emissions. Alternative fuels are preferably liquid and of sufficient energy density. As such methanol is proposed as a viable option. This paper reports the results from a simulation based investigation on a heavy-duty multi-cylinder direct injection compression ignition engine with standard compression ratio. The engine was simulated using two different fuels: methanol and gasoline with an octane number of 70.

The natural gas/diesel dual-fuel engine is an interesting technique to reduce greenhouse gas emission. A limitation of this concept is the emission of un-combusted methane. In this study we analyzed the influence of PFI gas-injection timing on cylinder to cylinder gas-distribution, and the resulting methane emissions. This was done on a 6 cylinder HD engine test bench and in a GT-power simulation of the same engine. The main variable in all tests was the timing of the intake port gas injection, placed either before, after, or during the intake stroke. It showed that injecting outside of the intake window resulted in significant variation of the amount of trapped gaseous fuel over the 6 cylinders, having a strong impact on methane emissions. Injecting outside of the intake stroke results in gas awaiting in the intake port. Both testing and simulation made clear that as a result of this, cylinder 1 leans out and cylinder 6 enriches.

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.

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.

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.