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In pursuing sustainable automotive technologies, exploring alternative fuels for hybrid vehicles is crucial in reducing environmental impact and aligning with global carbon emission reduction goals. This work compares methanol and naphtha as potential suitable alternative fuels for running in a battery-driven light-duty hybrid vehicle by comparing their performance with the diesel baseline engine. This work employs a 0-D vehicle simulation model within the GT-Power suite to replicate vehicle dynamics under the Worldwide Harmonized Light Vehicles Test Cycle (WLTC). The vehicle choice enables the assessment of a delivery application scenario using distinct payload capacities: 0%, 25%, 50%, and 100%. The model is fed with engine maps derived from previous experimental work conducted in the same engine, in which a full calibration was obtained that ensures the engine's operability in a wide region of rotational speed and loads.

Ammonia has emerged as a promising carbon-free alternative fuel for internal combustion engines (ICE), particularly in large-bore engine applications. However, integrating ammonia into conventional engines presents challenges, prompting the exploration of innovative combustion strategies like dual-fuel combustion. Nitrous oxide (N2O) emissions have emerged as a significant obstacle to the widespread adoption of ammonia in ICE. Various studies suggest that combining exhaust gas recirculation (EGR) with adjustments in inlet temperature and diesel injection timing can effectively mitigate nitrogen oxides (NOx) emissions across diverse operating conditions in dual-fuel diesel engines.

Predicting and preventing combustion anomalies leads to safe and efficient operation of the hydrogen internal combustion engine. This research presents the application of three machine learning (ML) models – K-Nearest Neighbors (KNN), Random Forest (RF) and Logistic Regression (LR) – for the prediction of combustion anomalies in a hydrogen internal combustion engine. A small experimental dataset was used to train the models and posterior experiments were used to evaluate their performance and predicting capabilities (both in operating points -speed and load- within the training dataset and operating points in other areas of the engine map). KNN and RF exhibit superior accuracy in classifying combustion anomalies in the training and testing data, particularly in minimizing false negatives, which could have detrimental effects on the engine.

Spray modelling plays a key role in engine simulations to understand fuel propagation and mixing, combustion, pollutant formation and energy efficiency. The grid dependency, need of calibration of several spray parameters, complexity associated with validation and high computational demand associated with Spray modelling are addressed with 1-dimentional SprayLet model. This work focuses on enhancing the SprayLet model approach with a dual emphasis on computational efficiency and grid independence for advanced engine simulations. Key spray characteristics, such as vapor and liquid penetration lengths, have been systematically evaluated as they play pivotal roles in understanding fuel evaporation, spray-wall interactions, and mixture formation within engines.

Worldwide, there is the demand to reduce harmful emissions from non-road vehicles to fulfill European Stage V+ and VI (2022, 2024) emission legislation. The rules require significant reductions in nitrogen oxides (NOx), methane (CH4) and formaldehyde (CH2O) emissions from non-road vehicles. Compressed natural gas (CNG) engines with appropriate exhaust aftertreatment systems such as three-way catalytic converter (TWC) can meet these regulations. An issue remains for reducing emissions during the engine cold start where the CNG engine and TWC yet do not reach their optimum operating conditions. The resulting complexity of engine and catalyst calibration can be efficiently supported by numerical models. Hence, it is required to develop accurate simulation models which can predict cold start emissions. This work presents a real-time engine model for transient engine-out emission prediction using tabulated chemistry for CNG.

Using renewable fuels is a reliable approach for decarbonization of combustion engines. iso-Butanol and n-butanol are known as longer chain alcohols and have the potential of being used as gasoline substitute or a renewable fraction of gasoline. The combustion behavior of renewable fuels in modern combustion engines and advanced combustion concepts is not well understood yet. Low-temperature combustion (LTC) is a concept that is a basis for some of the low emissions-high efficiency combustion technologies. Fuel ɸ-sensitivity is known as a key factor to be considered for tailoring fuels for these engines. The Lund ɸ-sensitivity method is an empirical test method for evaluation of the ɸ-sensitivity of liquid fuels and evaluate fuel behavior in thermal. iso-Butanol and n-butanol are two alcohols which like other alcohol exhibit nonlinear behavior when blended with (surrogate) gasoline in terms of RON and MON.

Spray modeling is among the main aspects of mixture formation and combustion in internal combustion engines. It plays a major role in pollutant formation and energy efficiency although adequate modeling is still under development. Strong grid dependence is observed in the droplet-based stochastic spray model commonly used. As an alternative, an interactive model called 'SprayLet' is being developed for spray simulations based on one-dimensional integrated equations for the gas and liquid phases, resulting from cross-sectionally averaging of multi-dimensional transport equations to improve statistical convergence. The formulated one-dimensional cross-section averaged system is solved independently of the CFD program to provide source terms for mass, momentum and heat transfer between the gas and liquid phases. The transport processes take place in a given spray cone where the nozzle exit is automatically resolved.

Methanol is currently being evaluated as a promising alternative fuel for internal combustion engines, due to being attainable by carbon neutral or negative pathways (renewable energy and carbon capture technology). The low ignitability of methanol has made it attractive mostly as a fuel for spark ignition engines, however the low sooting properties of the fuel could potentially reduce the NOx-soot tradeoff present in compression ignition engines. In this work, using a 4-cylinder engine with compression ratio modified from 16:1 to 19:1, methanol combustion is evaluated under five operating conditions in terms of fuel consumption, criteria pollutants, CO2 emissions and engine efficiency in addition to the qualitative assessment of the combustion stability. It was found that combustion is stable at medium to high loads, with medium load NOx emissions levels at least 30% lower than the original diesel engine and comparable emissions at maximum load conditions.

In more or less all aspects of life and in all sectors, there is a generalized global demand to reduce greenhouse gas (GHG) emissions, leading to the tightening and expansion of existing emissions regulations. Currently, non-road engines manufacturers are facing updates such as, among others, US Tier 5 (2028), European Stage V (2019/2020), and China Non-Road Stage IV (in phases between 2023 and 2026). For on-road applications, updates of Euro VII (2025), China VI (2021), and California Low NOx Program (2024) are planned. These new laws demand significant reductions in nitrogen oxides (NOx) and particulate matter (PM) emissions from heavy-duty vehicles. When equipped with an appropriate exhaust aftertreatment system, natural gas engines are a promising technology to meet the new emission standards.

In contrast to the currently primarily used liquid fuels (diesel and gasoline), methane (CH4) as a fuel offers a high potential for a significant reduction of greenhouse gas emissions (GHG). This advantage can only be used if tailpipe CH4 emissions are reduced to a minimum, since the GHG impact of CH4 in the atmosphere is higher than that of carbon dioxide (CO2). Three-way catalysts (TWC - stoichiometric combustion) and methane oxidation catalysts (MOC - lean combustion) can be used for post-engine CH4 oxidation. Both technologies allow for a nearly complete CH4 conversion to CO2 and water at sufficiently high exhaust temperatures (above the light-off temperature of the catalysts). However, CH4 combustion is facing a huge challenge with the planned introduction of Euro VII emissions standard, where stricter CH4 emission limits and a decrease of the cold start starting temperatures are discussed.

During cold start of natural gas engines, increased methane and formaldehyde emissions can be released due to flame quenching on cold cylinder walls, misfiring and the catalyst not being fully active at low temperatures. Euro 6 legislation does not regulate methane and formaldehyde emissions. New limits for these two pollutants have been proposed by CLOVE consortium for Euro 7 scenarios. These proposals indicate tougher requirements for aftertreatment systems of natural gas engines. In the present study, a zero-dimensional model for real-time engine-out emission prediction for transient engine cold start is presented. The model incorporates the stochastic reactor model for spark ignition engines and tabulated chemistry. The tabulated chemistry approach allows to account for the physical and chemical properties of natural gas fuels in detail by using a-priori generated laminar flame speed and combustion chemistry look-up tables.

Meeting strict current and future emissions legislation necessitates development of computational tools capable of predicting the behaviour of combustion and emissions with an accuracy sufficient to make correct design decisions while keeping computational cost of the simulations amenable for large-scale design space exploration. While detailed kinetics modelling is increasingly seen as a necessity for accurate simulations, the computational cost can be often prohibitive, prompting interest in simplified approaches allowing fast simulation of reduced mechanisms at coarse grid resolutions appropriate for internal combustion engine simulations in design context. In this study we present a simplified Well-stirred Reactor (WSR) implementation coupled with 3D CFD Ricardo VECTIS solver.

A commercially available fuel, E85, a blend of ~85% ethanol and ~15% gasoline, can be a viable substitute for fossil fuels in internal combustion engines in order to achieve a reduction of the greenhouse gas (GHG) emissions. Ethanol is traditionally made of biomass, which makes it a part of the food-feed-fuel competition. New processes that reuse waste products from other industries have recently been developed, making ethanol a renewable and sustainable second-generation fuel. So far, work on E85 has focused on spark ignition (SI) concepts due to high octane rating of this fuel. There is very little research on its application in CI engines. Alcohols are known for low soot particle emissions, which gives them an advantage in the NOx-soot trade-off of the compression ignition (CI) concept.

De-fossilization is an increasingly important trend in the energy sector. In the transport sector the de-fossilization efforts have been centered in promoting the electrification of vehicles, nonetheless other pathways, like the use of carbon neutral or carbon-offsetting fuels under current vehicle fleets, are also worth considering. Low-carbon fuels (LCF) can be synthetized from sources that can take advantage of the carbon already present in the atmosphere (either by technologies like direct carbon capture or biological processes like photosynthesis in biofuels) and use energy from renewable sources for the necessary industrial processes. Although, LCFs can be compared to fossil fuels as energy sources for internal combustion engines, their composition is not the same and their properties can modify the engine combustion and emissions.

The development of future gasoline engines is dominated by the study of new technologies aimed at reducing the engine negative environmental impact and increase its thermal efficiency. One common trend is to develop smaller engines able to operate in stoichiometric conditions across the whole engine map for better efficiency, lower fuel consumption, and optimal conversion rate of the three-way catalyst (TWC). Water injection is one promising technique, as it significantly reduces the engine knock tendency and avoids fuel enrichment for exhaust temperature mitigation at high power operation. With the focus on reducing the carbon footprint of the automotive sector, another vital topic of research is the investigation of new alternative CO2-neutral fuels or so-called eFuels. Several studies have already shown how these new synthetic fuels can be produced by exploiting renewable energy sources and can significantly reduce engine emissions.

Focusing on the dual-mode dual-fuel (DMDF) combustion concept, a combined optimization of the piston bowl geometry with the fuel injection strategy was conducted at low, mid, and high loads. By coupling the KIVA-3V code with the enhanced genetic algorithm (GA), a total of 14 parameters including the piston bowl geometric parameters and the injection parameters were optimized with the objective of meeting Euro VI regulations while improving the fuel efficiency. The optimal piston bowl shape coupled with the corresponding injection strategy was summarized and integrated at various loads. Furthermore, the effects of the key geometric parameters were investigated in terms of organizing the in-cylinder flow, influencing the energy distribution, and affecting the emissions. The results indicate that the behavior of the DMDF combustion mode is further enhanced in the aspects of improving the fuel economy and controlling the emissions after the bowl geometry optimization.

Fleet electrification has been demonstrated as a feasible solution to decarbonize the heavy-duty transportation sector. The combination of hybridization and advanced combustion concepts may provide further advantages by also introducing reductions on criteria pollutants such as nitrogen oxides and soot. In this scenario, the interplay among the different energy paths must be understood and quantified to extract the full potential of the powertrain. One of the key devices in such powertrains is the battery, which involves different aspects regarding operation, safety, and degradation. Despite this complexity, most of the models still rely on resistance-capacity models to describe the battery operation. These models may lead to unpractical results since the current flow is governed by limiters rather than physical laws. Additionally, phenomena related with battery degradation, which decreases the nominal capacity and enhances the heat generation are also not considered in this approach.

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.

Emissions regulations for engine and vehicle manufacturers are bound to become more limiting to prevent greenhouse gas emissions and mitigate the negative effects that potentiate global warming. To fulfill the energy demand necessary in the transportation sector for the short-to-medium term, a parallel optimization of the internal combustion engine, powertrain and fuels is necessary. The combination of novel combustion modes like the reactivity-controlled compression ignition (RCCI), that seeks the benefits of both compression ignition and spark ignition engines, with the so-called e-fuels, that reduce the carbon footprint from well-to-wheel, is worth exploring. This work investigates the potential of the RCCI concept using OMEx-gasoline to reduce the engine-out emissions beyond the current EURO VI legislation. To do so, eight representative operating conditions from several driving cycles for heavy-duty vehicles will be explored experimentally.

Advanced combustion concepts such as reactivity controlled compression ignition (RCCI) have been proven to be capable of fundamentally improve the conventional Diesel combustion by mitigating or avoiding the soot-NOx trade-off, while delivering comparable or better thermal efficiency. To further facilitate the development of the RCCI technology, a robust and possibly computationally efficient simulation framework is needed. While many successful studies have been published using 3D-CFD coupled with detailed combustion chemistry solvers, the maturity level of the 0D/1D based software solution offerings is relatively limited. The close interaction between physical and chemical processes challenges the development of predictive numerical tools, particularly when spatial information is not available.