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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.

An experimental study has been conducted to provide insight into heat transfer to the piston of a light-duty single-cylinder research engine under Conventional Diesel (CDC), Homogeneous Charge Compression Ignition (HCCI), and Reactivity Controlled Compression Ignition (RCCI) combustion regimes. Two fast-response surface thermocouples embedded in the piston top measured transient temperature. A commercial wireless telemetry system was used to transmit thermocouple signals from the moving piston. A detailed comparison was made between the different combustion regimes at a range of engine speed and load conditions. The closed-cycle integrated and peak heat transfer rates were found to be lower for HCCI and RCCI when compared to CDC. Under HCCI operation, the peak heat transfer rate showed sensitivity to the 50% burn location.

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.

Due to concerns regarding pollutant and CO2 emissions, advanced combustion modes that can simultaneously reduce exhaust emissions and improve thermal efficiency have been widely investigated. The main characteristic of the new combustion strategies, such as HCCI and LTC, is that the formation of a homogenous mixture or a controllable stratified mixture is required prior to ignition. The major issue with these approaches is the lack of a direct method for the control of ignition timing and combustion rate, which can be only indirectly controlled using high EGR rates and/or lean mixtures. Homogeneous Charge Progressive Combustion (HCPC) is based on the split-cycle principle. Intake and compression phases are performed in a reciprocating external compressor, which drives the air into the combustor cylinder during the combustion process, through a transfer duct. A transfer valve is positioned between the compressor cylinder and the transfer duct.

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.

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 automotive industry it has been a challenge to retain diesel-like thermal efficiency while maintaining low emissions. Numerous studies have shown significant progress in achieving low emissions through the introduction of common-rail injection systems, multiple injections and exhaust gas recirculation and by using a high octane number fuel, like gasoline, to achieve adequate premixing. On the other hand, low temperature combustion strategies, like HCCI and PCCI, have also shown promising results in terms of reducing both NOx and soot emissions simultaneously. With the increasing capacity of computers, multi-dimensional CFD engine modeling enables a reasonably good prediction of combustion characteristics and pollutant emissions, which is the motivation behind the present research. The current research effort presents an optimization study of light-duty compression ignition engine performance, while meeting the emission regulation targets.

Several diffusion combustion scaling models were experimentally tested in two geometrically similar single-cylinder diesel engines with a bore diameter ratio of 1.7. Assuming that the engines have the same in-cylinder thermodynamic conditions and equivalence ratio, the combustion models primarily change the fuel injection pressure and engine speed in order to attain similar performance and emissions. The models tested include an extended scaling model, which scales diffusion flame lift-off length and jet spray penetration; a simple scaling model, which only scales spray penetration at equal mean piston speed; and a same speed scaling model, which holds crankshaft rotational velocity constant while also scaling spray penetration. Successfully scaling diffusion combustion proved difficult to accomplish because of apparent differences that remained in the fuel-air mixing and heat transfer processes.

Single-cylinder engine experiments were used to investigate a fuel reactivity controlled compression ignition (RCCI) concept in both light- and heavy-duty engines and comparisons were made between the two engine classes. It was found that with only small changes in the injection parameters, the combustion characteristics of the heavy-duty engine could be adequately reproduced in the light-duty engine. Comparisons of the emissions and performance showed that both engines can simultaneously achieve NOx below 0.05 g/kW-hr, soot below 0.01 g/kW-hr, ringing intensity below 4 MW/m2, and gross indicated efficiencies above 50 per cent. However, it was found that the peak gross indicated efficiency of the baseline light-duty engine was approximately 7 per cent lower than the heavy-duty engine. The energy balances of the two engines were compared and it was found that the largest factor contributing to the lower efficiency of the light-duty engine was increased heat transfer losses.

An experimental study was conducted on an air cooled high-speed, direct-injection diesel generator that investigated the use of gasoline in a dual fuel PCCI strategy. The single-speed generator used in the study has an effective compression ratio of 17 and runs at 3600 rev/min. Varying amounts of gasoline were introduced into the combustion chamber through a port injection system. The generator uses an all-mechanical diesel fuel injection system that has a fixed injection timing. The experiments explored variable intake temperatures and fuel split quantities to investigate different combustion phasing regimes. Results from the study showed low combustion efficiency at low load. Low load operation was also characterized by high levels of HC and CO (in excess of 20 g/kwh and 50 g/kwh respectively). Operation at 75% load was more efficient, and displayed three different combustion regimes that are possible with PIG (port injected gasoline) dual fuel PCCI.

The objective of this investigation is to optimize a light-duty diesel engine in order to minimize soot, NOx, carbon monoxide (CO), unburned hydrocarbon (UHC) emissions and peak pressure rise rate (PPRR) while improving fuel economy in a low oxygen environment. Variables considered are the injection timings, fractional amount of fuel per injection, half included spray angle, swirl, and stepped-bowl piston geometry. The KIVA-CHEMKIN code, a multi-dimensional computational fluid dynamics (CFD) program with detailed chemistry is used and is coupled to a multi-objective genetic algorithm (MOGA) along with an automated grid generator. The stepped-piston bowl allows more options for spray targeting and improved charge preparation. Results show that optimal combinations of the above variables exist to simultaneously reduce emissions and fuel consumption. Details of the spray targeting were found to have a major impact on the combustion process.

A numerical study was performed to compare the formation of nitric oxide (NO) and nitrogen dioxide (NO₂), collectively termed NOx, resulting from biodiesel and diesel combustion in an internal combustion engine. It has been shown that biodiesel tends to increase NOx compared to diesel, and to-date, there is no widely accepted explanation. Many factors can lead to increased NOx formation and it was of interest to determine if fuel chemistry plays a significant role. Therefore, in order to isolate the fuel chemistry from mixing processes typical in a compression ignition engine, sprays were not considered in the present investigation. The current study compares the NOx formation of surrogates for biodiesel (as represented by methyl butanoate and n-heptane) and diesel (n-heptane) under completely homogeneous conditions. Combustion of each fuel was simulated using the Senkin code for both an adiabatic, constant volume reactor, and an adiabatic, single-zone HCCI engine model.

A continuous multi-component fuel evaporation model has been integrated with an improved G-equation combustion and detailed chemical kinetics model. The integrated code has been successfully used to simulate a gasoline direct injection engine. In the multi-component fuel model, the theory of continuous thermodynamics is used to model the properties and composition of multi-component fuels such as gasoline. In the improved G-equation combustion model a flamelet approach based on the G-equation is used that considers multi-component fuel effects. To precisely calculate the local and instantaneous residual which has a great effect on the laminar flame speed, a “transport equation residual” model is used. A Damkohler number criterion is used to determine the combustion mode in flame containing cells.

Homogeneous charge compression ignition (HCCI) combustion is considered to be an attractive alternative to traditional internal combustion engine operation because of its extremely low levels of pollutant emissions. However, there are several difficulties that must be overcome for HCCI practical use, such as difficult ignition timing controllability. Indeed, too early or too late ignition can occur with obvious drawbacks. In addition, the increase in cyclic variation caused by the ignition timing uncertainty can lead to uneven engine operation. As a way to solve the combustion phasing control problem, dual-fuel combustion has been proposed. It consists of a diesel pilot injection used to ignite a pre-mixture of gasoline (or other high octane fuel) and air. Although dual-fuel combustion is an attractive way to achieve controllable HCCI operation, few studies are available to help the understanding of its in-cylinder combustion behavior.

An analysis of the soot formation and oxidation process in a conventional direct-injection (DI) diesel flame was conducted using numerical simulations. An improved multi-step phenomenological soot model that includes particle inception, particle coagulation, surface growth and oxidation was used to describe the soot formation and oxidation process. The soot model has been implemented into the KIVA-3V code. Other model Improvements include a piston-ring crevice model, a KH/RT spray breakup model, a droplet wall impingement model, a wall-temperature heat transfer model, and the RNG k-ε turbulence model. The Shell model was used to simulate the ignition process, and a laminar-and-turbulent characteristic time combustion model was used for the post-ignition combustion process. Experimental data from a heavy-duty, Cummins N14, research DI diesel engine operated with conventional injection under low-load conditions were selected as a benchmark.

A numerical study of the effects of injection parameters and operating conditions for diesel-fuel HCCI operation is presented with consideration of Variable Geometry Sprays (VGS). Methods of mixture preparation are explored that overcome one of the major problems in HCCI engine operation with diesel fuel and conventional direct injection systems, i.e., fuel loss due to wall impingement and the resulting unburned fuel. Low pressure injection of hollow cone sprays into the cylinder of a production engine with the spray cone angle changing during the injection period were simulated using the multi-dimensional KIVA-3V CFD code with detailed chemistry. Variation of the starting and ending spray angles, injection timing, initial cylinder pressure and temperature, swirl intensity, and compression ratio were explored. As a simplified case of VGS, two-pulse, hollow-cone sprays were also simulated.

Low-temperature combustion concepts that utilize cooled EGR, early/retarded injection, high swirl ratios, and modest compression ratios have recently received considerable attention. To understand the combustion and, in particular, the soot formation process under these operating conditions, a modeling study was carried out using the KIVA-3V code with an improved phenomenological soot model. This multi-step soot model includes particle inception, surface growth, surface oxidation, and particle coagulation. Additional models include a piston-ring crevice model, the KH/RT spray breakup model, a droplet wall impingement model, a wall heat transfer model, and the RNG k-ε turbulence model. The Shell model was used to simulate the ignition process, and a laminar-and-turbulent characteristic time combustion model was used for the post-ignition combustion process.

Experiments show that intake flow details have a significant influence on High-Speed Direct-Injection (HSDI) diesel engine soot emissions. Four different intake modes were simulated using the combination of the CFD codes, STAR-CD and KIVA-3V, to investigate spray-intake flow-emission interaction characteristics. The simulation results were compared to steady-state flow bench data and engine experimental data. It was found that it is difficult to accurately predict the timing of the small pilot and main combustion events, simultaneously, with current simplified ignition models. NOx emissions were predicted well, however, an insensitivity of the soot emissions to the details of the intake process was found, mainly due to the deficiencies in predicting the ignition delay. The results show that a strong swirling flow causes the formed soot to remain within the bowl, leading to high soot emissions.

A level set G-equation model has been developed to model the combustion process in spark ignition engines. The spark ignition process was modeled using an improved version of the Discrete Particle Ignition Kernel (DPIK) model. The two models were implemented into the KIVA-3V code to simulate SI engine combustion under both premixed and direct injection conditions. In the ignition model, the ignition kernel growth is tracked by Lagrangian markers, and spark discharge energy and flow turbulence effects on the kernel growth are considered. Once the ignition kernel grows to a size where the turbulent flame is fully developed, the G-equation model is used to track the mean turbulent flame evolution. When combined with a characteristic time scale combustion model, the models were also used to simulate stratified combustion in DISI engines, where the triple flame structure must be considered.

An improved discrete particle ignition kernel (DPIK) model and the G-equation combustion model have been developed and implemented in KIVA-3V. In the ignition model, the spark ignition kernel growth is tracked by Lagrangian markers and the spark discharge energy and flow turbulence effects on the ignition kernel growth are considered. The predicted ignition kernel size was compared with the available measurements and good agreement was obtained. Once the ignition kernel grows to a size where the turbulent flame is fully developed, the level set method (G-equation) is used to track the mean turbulent flame propagation. It is shown that, by ignoring the detailed turbulent flame brush structure, fine numerical resolution is not needed, thus making the models suitable for use in multidimensional modeling of SI engine combustion.