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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.

In Equation 10, there should be a plus sign between the first summation term and the quantity in brackets. The acceleration of the participant's vehicle was varied from −0.04 m/s2 to +0.06 m/s2 linearly as a function of the angle of the gas pedal with a 0.1-second delay.

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 this work computational and experimental approaches are combined to characterize in-cylinder flow structures and local flow field properties during operation of the Sandia 1.9L light-duty optical Diesel engine. A full computational model of the single-cylinder research engine was used that considers the complete intake and exhaust runners and plenums, as well as the adjustable throttling devices used in the experiments to obtain different swirl ratios. The in-cylinder flow predictions were validated against an extensive set of planar PIV measurements at different vertical locations in the combustion chamber for different swirl ratio configurations. Principal Component Analysis was used to characterize precession, tilting and eccentricity, and regional averages of the in-cylinder turbulence properties in the squish region and the piston bowl.

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.

Homogeneous low temperature combustion is believed to be a promising approach to resolve the conflict of goals between high efficiency and low exhaust emissions. Disadvantageously for this kind of combustion, the whole process depends on chemical kinetics and thus is hard to control. Reactivity controlled combustion can help to overcome this difficulty. In the so-called RCCI (reactivity controlled compression ignition) combustion concept a small amount of pilot diesel that is injected directly into the combustion chamber ignites a highly diluted gasoline-air mixture. As the gasoline does not ignite without the diesel, the pilot injection timing and the ratio between diesel and gasoline can be used to control the combustion process. A phenomenological multi-zone model to predict RCCI combustion has been developed and validated against experimental and 3D-CFD data. The model captures the main physics governing ignition and combustion.

Previous work has demonstrated the capabilities of gasoline compression ignition to achieve engine loads as high as 19.5 bar BMEP with a production multi-cylinder diesel engine using gasoline with an anti-knock index (AKI) of 87. In the current study, the low load limit of the engine was investigated using the same engine hardware configurations and 87 AKI fuel that was used to achieve 19.5 bar BMEP. Single injection, “minimum fueling” style injection timing and injection pressure sweeps (where fuel injection quantity was reduced at each engine operating condition until the coefficient of variance of indicated mean effective pressure rose to 3%) found that the 87 AKI test fuel could run under stable combustion conditions down to a load of 1.5 bar BMEP at an injection timing of −30 degrees after top dead center (°aTDC) with reduced injection pressure, but still without the use of intake air heating or uncooled EGR.

In recent years society's demand and interest in clean and efficient internal combustion engines has grown significantly. Several ideas have been proposed and tested to meet this demand. In particular, dual-fuel Reactivity Controlled Compression Ignition (RCCI) combustion has demonstrated high thermal efficiency, and low engine-out NOx, and soot emissions. Unlike homogeneous charge compression ignition (HCCI) combustion, which solely relies on the chemical kinetics of the fuel for ignition control, RCCI combustion has proven to provide superior combustion controllability while retaining the known benefits of low emissions and high thermal efficiency of HCCI combustion. However, in order for RCCI combustion to be adopted as a high efficiency and low engine-out emission solution, it is important to achieve high-power operation that is comparable to conventional diesel combustion (CDC).

The effects of the temporal and spatial distributions of ignition timings of combustion zones on combustion noise in a Direct Injection Compression Ignition (DICI) engine were studied using experimental tests and numerical simulations. The experiments were performed with different fuel injection strategies on a heavy-duty diesel engine. Cylinder pressure was measured with the sampling intervals of 0.1°CA in order to resolve noise components. The simulations were performed using the KIVA-3V code with detailed chemistry to analyze the in-cylinder ignition and combustion processes. The experimental results show that optimal sequential ignition and spatial distribution of combustion zones can be realized by adopting a two-stage injection strategy in which the proportion of the pilot injection fuel and the timings of the injections can be used to control the combustion process, thus resulting in simultaneously higher thermal efficiency and lower noise emissions.

The use of gasoline in a compression ignition engine has been a research focus lately due to the ability of gasoline to provide more premixing, resulting in controlled emissions of the nitrogen oxides [NOx] and particulate matter. The present study assesses the reactivity of 93 RON [87AKI] gasoline in a GM 1.9L 4-cylinder diesel engine, to extend the low load limit. A single injection strategy was used in available experiments where the injection timing was varied from −42 to −9 deg ATDC, with a step-size of 3 deg. The minimum fueling level was defined in the experiments such that the coefficient of variance [COV] of indicated mean effective pressure [IMEP] was less than 3%. The study revealed that injection at −27 deg ATDC allowed a minimum load of 2 bar BMEP. Also, advancement in the start of injection [SOI] timing in the experiments caused an earlier CA50, which became retarded with further advancement in SOI timing.

A single-cylinder light-duty diesel engine was used to investigate dual fuel reactivity controlled compression ignition (RCCI) operated with two different fuel combinations: gasoline/diesel fuel and methanol/diesel fuel. The engine was operated over a range of conditions, from 1500 to 2300 rpm and 3.5 to 17 bar gross IMEP. Using the stock re-entrant piston bowl geometry, both fuel combinations were able to achieve low NOx and PM emissions with a peak gross indicated efficiency of 48%. However, at light load conditions both gasoline and methanol yielded poorer combustion efficiencies. Previous studies have shown that the high-levels of piston induced mixing that are created by the stock piston are not required, and in fact are detrimental due to increased heat transfer losses, for premixed combustion. Thus a modified piston featuring a shallow, flat piston bowl with nearly no squish land was also investigated.

The effects of different Research Octane Number [RON] fuels on a multi-cylinder light-duty compression ignition [CI] engine were investigated at light load conditions. Experiments were conducted on a GM 1.9L 4-cylinder diesel engine at Argonne National Laboratory, using two different fuels, i.e., 75 RON and 93 RON. Emphasis was placed on 5 bar BMEP load, 2000 rev/min engine operation using two different RON fuels, and 2 bar BMEP load operating at 1500 rev/min using 75 RON gasoline fuel. The experiments reveal difficulty in controlling combustion at low load points using the higher RON fuel. In order to explain the experimental trends, simulations were carried out using the KIVA3V-Chemkin Computational Fluid Dynamics [CFD] Code. The numerical results were validated with the experimental results and provided insights about the engine combustion characteristics at different speeds and low load conditions using different fuels.

In a recent study, quantitative measurements were presented of in-cylinder spatial distributions of mixture equivalence ratio in a single-cylinder light-duty optical diesel engine, operated with a non-reactive mixture at conditions similar to an early injection low-temperature combustion mode. In the experiments a planar laser-induced fluorescence (PLIF) methodology was used to obtain local mixture equivalence ratio values based on a diesel fuel surrogate (75% n-heptane, 25% iso-octane), with a small fraction of toluene as fluorescing tracer (0.5% by mass). Significant changes in the mixture's structure and composition at the walls were observed due to increased charge motion at high swirl and injection pressure levels. This suggested a non-negligible impact on wall heat transfer and, ultimately, on efficiency and engine-out emissions.

In-cylinder blending of gasoline and diesel to achieve Reactivity Controlled Compression Ignition (RCCI) has been shown to reduce NOX and particulate matter (PM) emissions while maintaining or improving brake thermal efficiency as compared to conventional diesel combustion (CDC). The RCCI concept has an advantage over many advanced combustion strategies in that the fuel reactivity can be tailored to the engine speed and load allowing stable low-temperature combustion to be extended over more of the light-duty drive cycle load range. Varying the premixed gasoline fraction changes the fuel reactivity stratification in the cylinder providing further control of combustion phasing and pressure rise rate than the use of EGR alone. This added control over the combustion process has been shown to allow rapid engine operating point exploration without direct modeling guidance.

Advanced combustion systems that simultaneously address PM and NOx while retaining the high efficiency of modern diesel engines, are being developed around the globe. One of the most difficult problems in the area of advanced combustion technology development is the control of combustion initiation and retaining power density. During the past several years, significant progress has been accomplished in reducing emissions of NOx and PM through strategies such as LTC/HCCI/PCCI/PPCI and other advanced combustion processes; however control of ignition and improving power density has suffered to some degree - advanced combustion engines tend to be limited to the 10 bar BMEP range and under. Experimental investigations have been carried out on a light-duty DI multi-cylinder diesel automotive engine. The engine is operated in low temperature combustion (LTC) mode using 93 RON (Research Octane Number) and 74 RON fuel.

The present experimental study explored methods to obtain the maximum practical cycle efficiency with Reactivity Controlled Compression Ignition (RCCI). The study used both zero-dimensional computational cycle simulations and engine experiments. The experiments were conducted using a single-cylinder heavy-duty research diesel engine adapted for dual fuel operation, with and without piston oil gallery cooling. In previous studies, RCCI combustion with in-cylinder fuel blending using port-fuel-injection of a low reactivity fuel and optimized direct-injections of higher reactivity fuels was demonstrated to permit near-zero levels of NOx and PM emissions in-cylinder, while simultaneously realizing gross indicated thermal efficiencies in excess of 56%. The present study considered RCCI operation at a fixed load condition of 6.5 bar IMEP an engine speed of 1,300 [r/min]. The experiments used a piston with a flat profile with 18.7:1 compression ratio.

The paper presents the development of a novel approach to the solution of detailed chemistry in internal combustion engine simulations, which relies on the analytical computation of the ordinary differential equations (ODE) system Jacobian matrix in sparse form. Arbitrary reaction behaviors in either Arrhenius, third-body or fall-off formulations can be considered, and thermodynamic gas-phase mixture properties are evaluated according to the well-established 7-coefficient JANAF polynomial form. The current work presents a full validation of the new chemistry solver when coupled to the KIVA-4 code, through modeling of a single cylinder Caterpillar 3401 heavy-duty engine, running in two-stage combustion mode.

An investigation of high speed direct injection (DI) compression ignition (CI) engine combustion fueled with gasoline injected using a triple-pulse strategy in the low temperature combustion (LTC) regime is presented. This work aims to extend the operation ranges for a light-duty diesel engine, operating on gasoline, that have been identified in previous work via extended controllability of the injection process. The single-cylinder engine (SCE) was operated at full load (16 bar IMEP, 2500 rev/min) and computational simulations of the in-cylinder processes were performed using a multi-dimensional CFD code, KIVA-ERC-Chemkin, that features improved sub-models and the Chemkin library. The oxidation chemistry of the fuel was calculated using a reduced mechanism for primary reference fuel combustion chosen to match ignition characteristics of the gasoline fuel used for the SCE experiments.