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The possibility to operate current diesel engines in dual-fuel mode with the addition of an alternative fuel is fundamental to accelerate the energy transition to achieve carbon neutrality. The simulation of the dual- fuel combustion process with 0D/1D combustion models is fundamental for the performance prediction, but still particularly challenging, due to chemical interactions of the mixture. The authors defined a novel data-driven workflow for the development of combustion reaction mechanisms and used it to generate a dual-fuel mechanism for Ammonia and Diesel Primary Reference Fuels (DPRF) suitable for efficient combustion simulations in heavy duty engines, with variable cetane number Diesel fuels. A baseline reaction mechanism was created by merging the detailed ammonia mechanism by Glarborg et al. with reaction pathways for n- hexadecane and 2,2,4,4,6,8,8-heptamethylnonane from a well-established multi-component fuel mechanism.

We propose a novel dual-fuel combustion model for simulating heavy-duty engines with the G-Equation. Dual-Fuel combustion strategies in such engines features direct injection of a high-reactivity fuel into a lean, premixed chamber which has a high resistance to autoignition. Distinct combustion modes are present: the DI fuel auto-ignites following chemical ignition delay after spray vaporization and mixing; a reactive front is formed on its surroundings; it develops into a well-structured turbulent flame, which propagates within the premixed charge. Either direct chemistry or the flame-propagation approach (G- Equation), taken alone, do not produce accurate results. The proposed Dual-Fuel model decides what regions of the combustion chamber should be simulated with either approach, according to the local flame state; and acts as a “kernel” model for the G- Equation model. Direct chemistry is run in the regions where a premixed front is not present.

With increasingly stringent regulations mandating the improvement of vehicle fuel economy, automotive manufacturers face growing pressure to develop and implement technologies that improve overall system efficiency. One such technology is an automatic (auto) stop-start feature. Auto stop-start reduces idle time and reduces fuel use by temporarily shutting the engine off when the vehicle comes to a stop and automatically re-starting it when the brake is released, or the accelerator is pressed. As mandated by the U.S. Congress, the U.S. Environmental Protection Agency (EPA) is required to keep the public informed about fuel saving practices. This is done, in partnership with the U.S. Department of Energy (DOE), through the fueleconomy.gov website. The “Fuel-Saving Technologies” and “Gas Mileage Tips” sections of the website are focused on helping the public make informed purchasing decisions and encouraging fuel-saving driving habits.

The use of fuel reformate from catalytic processes is known to have beneficial effects on the spark-ignited (SI) combustion process through enhanced dilution tolerance and decreased combustion duration, but in many cases reformate generation can incur a significant fuel penalty. In a previous investigation, the researchers showed that, by controlling the boundary conditions of the reforming catalyst, it was possible to minimize the thermodynamic expense of the reforming process, and in some cases, realize thermochemical recuperation (TCR), a form of waste heat recovery where exhaust heat is converted to usable chemical energy. The previous work, however, focused on a relatively light-load engine operating condition of 2000 rpm, 4 bar brake mean effective pressure (BMEP). The present investigation demonstrates that this operating strategy is applicable to higher engine loads, including boosted operation up to 10 bar BMEP.

As the fuel economy regulations increase in stringency, many manufacturers are implementing start-stop operation to enhance vehicle fuel economy. During start-stop operation, the engine shuts off when the vehicle is stationary for more than a few seconds. When the brake is released by the driver, the engine restarts. Depending on traffic conditions, start-stop operation can result in fuel savings from a few percent to close to 10%. Gasoline direct injection (GDI) engines are also increasingly available on light-duty vehicles. While GDI engines offer fuel economy advantages over port fuel injected (PFI) engines, they also tend to have higher PM emissions, particularly during start-up transients. Thus, there is interest in evaluating the effect of start-stop operation on PM emissions. In this study, a 2.5L GDI vehicle was operated over the FTP75 drive cycle.

The U.S. Department of Energy’s Co-Optimization of Fuels and Engines initiative (Co-Optima) aims to simultaneously transform both transportation fuels and engines to maximize performance and energy efficiency. Researchers from across the DOE national laboratories are working within Co-Optima to develop merit functions for evaluating the impact of fuel formulations on the performance of advanced engines. The merit functions relate overall engine efficiency to specific measurable fuel properties and will serve as key tools in the fuel/engine co-optimization process. This work focused on developing a term for the Co-Optima light-duty boosted spark ignition (SI) engine merit function that captures the effects of fuel composition on emissions control system performance. For stoichiometric light-duty SI engines, the majority of NOx, NMOG, and CO emissions occur during cold start, before the three-way catalyst (TWC) has reached its “light-off” temperature.

Aggressive driving is an important topic for many reasons, one of which is higher energy used per unit distance traveled, potentially accompanied by an elevated production of greenhouse gases and other pollutants. Examining a large data set of self-reported fuel economy (FE) values revealed that the dispersion of FE values is quite large and is larger for hybrid electric vehicles (HEVs) than for conventional gasoline vehicles. This occurred despite the fact that the city and highway FE ratings for HEVs are generally much closer in value than for conventional gasoline vehicles. A study was undertaken to better understand this and better quantify the effects of aggressive driving, including reviewing past aggressive driving studies, developing and exercising a new vehicle energy model, and conducting a related experimental investigation.

A computational fluid dynamics (CFD) guided combustion system optimization was conducted for a heavy-duty compression-ignition engine with a gasoline-like fuel that has an anti-knock index (AKI) of 58. The primary goal was to design an optimized combustion system utilizing the high volatility and low sooting tendency of the fuel for improved fuel efficiency with minimal hardware modifications to the engine. The CFD model predictions were first validated against experimental results generated using the stock engine hardware. A comprehensive design of experiments (DoE) study was performed at different operating conditions on a world-leading supercomputer, MIRA at Argonne National Laboratory, to accelerate the development of an optimized fuel-efficiency focused design while maintaining the engine-out NOx and soot emissions levels of the baseline production engine.

Nowadays Spark Ignition (SI) engine developments focus on downsizing, in order to increase the engine load level and consequently its efficiency. As a side effect, knock occurrence is strongly increased. The current strategy to avoid knock is to reduce the spark advance which limits the potential of downsizing in terms of consumption reduction. Reducing the engine propensity to knock is therefore a first order subject for car manufacturers. Engineers need competitive tools to tackle such a complex phenomenon. In this paper the 3D RANS simulations ability to satisfactorily represent knock tendencies is demonstrated. ECFM (Extended Coherent Flame Model) has been recently implemented by IFPEN in CONVERGE and coupled with TKI (Tabulated Kinetics Ignition) to represent Auto-Ignition in SI engine. These models have been applied on a single cylinder engine configuration dedicated to abnormal combustion study.

The current trend of downsizing used in gasoline engines, while reducing fuel consumption and CO2 emissions, imposes severe thermal loads inside the combustion chamber. These critical thermodynamic conditions lead to the possible auto-ignition (AI) of fresh gases hot-spots around Top-Dead-Center (TDC). At this very moment where the surface to volume ratio is high, wall heat transfer influences the temperature field inside the combustion chamber. The use of a realistic wall temperature distribution becomes important in the case of a downsized engine where fresh gases hot spots found near high temperature walls can initiate auto-ignition. This paper presents a comprehensive numerical methodology for an accurately prediction of thermodynamic conditions inside the combustion chamber based on Conjugate Heat Transfer (CHT).

This work involves modeling internal and near-nozzle flows of a gasoline direct injection (GDI) nozzle. The Engine Combustion Network (ECN) Spray G condition has been considered for these simulations using the nominal geometry of the Spray G injector. First, best practices for numerical simulation of the two-phase flow evolution inside and the near-nozzle regions of the Spray G injector are presented for the peak needle lift. The mass flow rate prediction for peak needle lift was in reasonable agreement with experimental data available in the ECN database. Liquid plume targeting angle and liquid penetration estimates showed promising agreement with experimental observations. The capability to assess the influence of different thermodynamic conditions on the two-phase flow nature was established by predicting non-flashing and flashing phenomena.

Due to the new challenge of meeting number-based regulations for particulate matter (PM), a numerical and experimental study has been conducted to better understand particulate formation in engines fuelled with compressed natural gas. The study has been conducted on a Heavy-Duty, Euro VI, 4-cylinder, spark ignited engine, with multipoint sequential phased injection and stoichiometric combustion. For the experimental measurements two different instruments were used: a condensation particle counter (CPC) and a fast-response particle size spectrometer (DMS) the latter able also to provide a particle size distribution of the measured particles in the range from 5 to 1000 nm. Experimental measurements in both stationary and transient conditions were carried out. The data using the World Harmonized Transient Cycle (WHTC) were useful to detect which operating conditions lead to high numbers of particles. Then a further transient test was used for a more detailed and deeper analysis.

Reactivity Controlled Compression Ignition (RCCI) has been shown to be an attractive concept to achieve clean and high efficiency combustion. RCCI can be realized by applying two fuels with different reactivities, e.g., diesel and gasoline. This motivates the idea of using a single low reactivity fuel and direct injection (DI) of the same fuel blended with a small amount of cetane improver to achieve RCCI combustion. In the current study, numerical investigation was conducted to simulate RCCI and HCCI combustion and emissions with various fuels, including gasoline/diesel, iso-butanol/diesel and iso-butanol/iso-butanol+di-tert-butyl peroxide (DTBP) cetane improver. A reduced Primary Reference Fuel (PRF)-iso-butanol-DTBP mechanism was formulated and coupled with the KIVA computational fluid dynamic (CFD) code to predict the combustion and emissions of these fuels under different operating conditions in a heavy duty diesel engine.

A novel 2-zone combustion chamber concept (patent pending) was developed using multi-dimensional modeling. At minimum volume, an axial projection in the piston divides the volume into distinct zones joined by a communication channel. The projection provides a means to control the mixture formation and combustion phasing within each zone. The novel combustion system was applied to reactivity controlled compression ignition (RCCI) combustion in both light-duty and heavy-duty diesel engines. Results from the study of an 8.8 bar BMEP, 2600 RPM operating condition are presented for the light-duty engine. The results from the heavy-duty engine are at an 18.1 bar BMEP, 1200 RPM operating condition. The effect of several major design features were investigated including the volume split between the inner and outer combustion chamber volumes, the clearance (squish) height, and the top ring land (crevice) volume.

The focus of the present study was to characterize Reactivity Controlled Compression Ignition (RCCI) using a single-fuel approach of gasoline and gasoline mixed with a commercially available cetane improver on a multi-cylinder engine. RCCI was achieved by port-injecting a certification grade 96 research octane gasoline and direct-injecting the same gasoline mixed with various levels of a cetane improver, 2-ethylhexyl nitrate (EHN). The EHN volume percentages investigated in the direct-injected fuel were 10, 5, and 2.5%. The combustion phasing controllability and emissions of the different fueling combinations were characterized at 2300 rpm and 4.2 bar brake mean effective pressure over a variety of parametric investigations including direct injection timing, premixed gasoline percentage, and intake temperature. Comparisons were made to gasoline/diesel RCCI operation on the same engine platform at nominally the same operating condition.

In the current work, a series-hybrid vehicle has been constructed that utilizes a dual-fuel, Reactivity Controlled Compression Ignition (RCCI) engine. The vehicle is a 2009 Saturn Vue chassis and a 1.9L turbo-diesel engine converted to operate with low temperature RCCI combustion. The engine is coupled to a 90 kW AC motor, acting as an electrical generator to charge a 14.1 kW-hr lithium-ion traction battery pack, which powers the rear wheels by a 75 kW drive motor. Full vehicle testing was conducted on chassis dynamometers at the Vehicle Emissions Research Laboratory at Ford Motor Company and at the Vehicle Research Laboratory at Oak Ridge National Laboratory. For this work, the US Environmental Protection Agency Highway Fuel Economy Test was performed using commercially available gasoline and ultra-low sulfur diesel. Fuel economy and emissions data were recorded over the specified test cycle and calculated based on the fuel properties and the high-voltage battery energy usage.

While Low Temperature Combustion (LTC) strategies such as Reactivity Controlled Compression Ignition (RCCI) exhibit high thermal efficiency and produce low NOx and soot emissions, low load operation is still a significant challenge due to high unburnt hydrocarbon (UHC) and carbon monoxide (CO) emissions, which occur as a result of poor combustion efficiencies at these operating points. Furthermore, the exhaust gas temperatures are insufficient to light-off the Diesel Oxidation Catalyst (DOC), thereby resulting in poor UHC and CO conversion efficiencies by the aftertreatment system. To achieve exhaust gas temperature values sufficient for DOC light-off, combustion can be appropriately phased by changing the ratio of gasoline to diesel in the cylinder, or by burning additional fuel injected during the expansion stroke through post-injection.

The application of close-coupled post injections in diesel engines has been proven to be an effective in-cylinder strategy for soot reduction, without much fuel efficiency penalty. But due to the complexity of in-cylinder combustion, the soot reduction mechanism of post-injections is difficult to explain. Accordingly, a simulation study using a three dimensional computational fluid dynamics (CFD) model, coupled with the SpeedChem chemistry solver and a semi-detailed soot model, was carried out to investigate post-injection in a constant volume combustion chamber, which is more simple and controllable with respect to the boundary conditions than an engine. A 2-D axisymmetric mesh of radius 2 cm and height 5 cm was used to model the spray. Post-injection durations and initial oxygen concentrations were swept to study the efficacy of post-injection under different combustion conditions.

The present experimental engine efficiency study explores the effects of intake pressure and temperature, and premixed and global equivalence ratios on gross thermal efficiency (GTE) using the reactivity controlled compression ignition (RCCI) combustion strategy. Experiments were conducted in a heavy-duty single-cylinder engine at constant net load (IMEPn) of 8.45 bar, 1300 rev/min engine speed, with 0% EGR, and a 50% mass fraction burned combustion phasing (CA50) of 0.5°CA ATDC. The engine was port fueled with E85 for the low reactivity fuel and direct injected with 3.5% 2-ethylhexyl nitrate (EHN) doped into 91 anti-knock index (AKI) gasoline for the high-reactivity fuel. The resulting reactivity of the enhanced fuel corresponds to an AKI of approximately 56 and a cetane number of approximately 28. The engine was operated with a wide range of intake pressures and temperatures, and the ratio of low- to high-reactivity fuel was adjusted to maintain a fixed speed-phasing-load condition.

The incorporation of detailed chemistry models in internal combustion engine simulations is becoming mandatory as local, globally lean, low-temperature combustion strategies are setting the path towards a more efficient and environmentally sustainable use of energy resources in transportation. In this paper, we assessed the computational efficiency of a recently developed sparse analytical Jacobian chemistry solver, namely ‘SpeedCHEM’, that features both direct and Krylov-subspace solution methods for maximum efficiency for both small and large mechanism sizes. The code was coupled with a high-dimensional clustering algorithm for grouping homogeneous reactors into clusters with similar states and reactivities, to speed-up the chemical kinetics solution in multi-dimensional combustion simulations.