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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.

Spray-wall interactions in diesel engines have a strong influence on turbulent flow evolution and mixing, which influences the engine’s thermal efficiency and pollutant-emissions behavior. Previous optical experiments and numerical investigations of a stepped-lip diesel piston bowl focused on how spray-wall interactions influence the formation of squish-region vortices and their sensitivity to injection timing. Such vortices are stronger and longer-lived at retarded injection timings and are correlated with faster late-cycle heat release and soot reductions, but are weaker and shorter-lived as injection timing is advanced. Computational fluid dynamics (CFD) simulations predict that piston bowls with more space in the squish region can enhance the strength of these vortices at near-TDC injection timings, which is hypothesized to further improve peak thermal efficiency and reduce emissions. The dimpled stepped-lip (DSL) piston is such a design.

Appropriate spray modeling in multidimensional simulations of diesel engines is well known to affect the overall accuracy of the results. More and more accurate models are being developed to deal with drop dynamics, breakup, collisions, and vaporization/multiphase processes; the latter ones being the most computationally demanding. In fact, in parallel calculations, the droplets occupy a physical region of the in-cylinder domain, which is generally very different than the topology-driven finite-volume mesh decomposition. This makes the CPU decomposition of the spray cloud severely uneven when many CPUs are employed, yielding poor parallel performance of the spray computation. Furthermore, mesh-independent models such as collision calculations require checking of each possible droplet pair, which leads to a practically intractable O(np2/2) computational cost, np being the total number of droplets in the spray cloud, and additional overhead for parallel communications.

Lagrangian spray modeling represents a critical boundary condition for multidimensional simulations of in-cylinder flow structure, mixture formation and combustion in internal combustion engines. Segregated models for injection, breakup, collision and vaporization are usually employed to pass appropriate momentum, mass, and energy source terms to the gas-phase solver. Careful calibration of each sub-model generally produces appropriate results. Yet, the predictiveness of this modeling approach has been questioned by recent experimental observations, which showed that at trans- and super-critical conditions relevant to diesel injection, classical atomization and vaporization behavior is replaced by a mixing-controlled phase transition process of a dense fluid. In this work, we assessed the shortcomings of classical spray modeling with respect to real-gas and phase-change behavior, employing a multicomponent phase equilibrium solver and liquid-jet theory.

The long-term goal of this work is to develop a conceptual model for multiple injections of diesel jets. The current work contributes to that effort by performing a detailed modeling investigation into mechanisms that are predicted to control 1st and 2nd stage ignition in single-pulse diesel (n-dodecane) jets under different conditions. One condition produces a jet with negative ignition dwell that is dominated by mixing-controlled heat release, and the other, a jet with positive ignition dwell and dominated by premixed heat release. During 1st stage ignition, fuel is predicted to burn similarly under both conditions; far upstream, gases at the radial-edge of the jet, where gas temperatures are hotter, partially react and reactions continue as gases flow downstream. Once beyond the point of complete fuel evaporation, near-axis gases are no longer cooled by the evaporation process and 1st stage ignition transitions to 2nd stage ignition.

Experiments were performed on a small-bore optically accessible engine to investigate diesel pilot ignition (DPI) and reactivity controlled compression ignition (RCCI) dual-fuel combustion strategies with direct injection of natural gas and diesel. Parametric variations of pilot ratio were performed. Natural luminosity and OH chemiluminescence movies of the combustion processes were captured at 28.8 and 14.4 kHz, respectively. These data were used to create ignition maps, which aided in comparing the propagation modes of the two combustion strategies. Lower pilot ratios resulted in lower initial heat release rates, and the initial ignition sites were generally smaller and less luminous; for increased pilot ratios the initial portion of the heat release was larger, and the ignition sites were large and bright. Comparisons between diesel pilot ignition and reactivity controlled compression ignition showed differences in combustion propagation mechanisms.

The increased availability of natural gas (NG) in the U.S. has renewed interest in the application to heavy-duty (HD) diesel engines in order to realize fuel cost savings and reduce pollutant emissions, while increasing fuel economy. Reactivity controlled compression ignition (RCCI) combustion employs two fuels with a large difference in auto-ignition properties to generate a spatial gradient of fuel-air mixtures and reactivity. Typically, a high octane fuel is premixed by means of port-injection, followed by direct injection of a high cetane fuel late in the compression stroke. Previous work by the authors has shown that NG and diesel RCCI offers improved fuel efficiency and lower oxides of nitrogen (NOx) and soot emissions when compared to conventional diesel diffusion combustion. The work concluded that NG and diesel RCCI engines are load limited by high rates of pressure rise (RoPR) (>15 bar/deg) and high peak cylinder pressure (PCP) (>200 bar).

Reactivity controlled compression ignition (RCCI) combustion employs two fuels with a large difference in auto-ignition properties that are injected at different times to generate a spatial gradient of fuel-air mixtures and reactivity. Researchers have shown that RCCI offers improved fuel efficiency and lower NOx and Soot exhaust emissions when compared to conventional diesel diffusion combustion. The majority of previous research work has been focused on premixed gasoline or ethanol for the low reactivity fuel and diesel for the high reactivity fuel. The increased availability of natural gas (NG) in the U.S. has renewed interest in the application of compressed natural gas (CNG) to heavy-duty (HD) diesel engines in order to realize fuel cost savings and reduce pollutant emissions, while increasing fuel economy. Thus, RCCI using CNG and diesel fuel warrants consideration.

Low temperature combustion through in-cylinder blending of fuels with different reactivity offers the potential to improve engine efficiency while yielding low engine-out NOx and soot emissions. A Navistar MaxxForce 13 heavy-duty compression ignition engine was modified to run with two separate fuel systems, aiming to utilize fuel reactivity to demonstrate a technical path towards high engine efficiency. The dual-fuel engine has a geometric compression ratio of 14 and uses sequential, multi-port-injection of a low reactivity fuel in combination with in-cylinder direct injection of diesel. Through control of in-cylinder charge reactivity and reactivity stratification, the engine combustion process can be tailored towards high efficiency and low engine-out emissions. Engine testing was conducted at 1200 rpm over a load sweep.

Low temperature combustion through in-cylinder blending of gasoline and diesel offers the potential to improve engine efficiency while yielding low engine-out soot and NOx emissions. This investigation utilized 3-D KIVA combustion simulation to guide the development of viable dual-fuel low temperature combustion strategies for heavy-duty applications. Model-based combustion optimization was performed at 1531rpm and 11 bar BMEP for a 12.4 L heavy-duty truck engine. Various engine operating parameters were explored through design of experiments (DoE). The parameters involved in the optimization process included compression ratio, air-fuel ratio, EGR rate, gasoline-to-diesel ratio, and diesel injection strategy (i.e., single-diesel injection vs. two-diesel injections, diesel injection timings, and the split ratio between two-diesel injections). Optimal cases showed near zero soot emissions and very low NOx emissions.

A generalized re-normalization group (RNG) turbulence model based on the local "dimensionality" of the flow field is proposed. In this modeling approach the model coefficients C₁, C₂, and C₃ are all constructed as functions of flow strain rate. In order to further validate the proposed turbulence model, the generalized RNG closure model was applied to model the backward facing step flow (a classic test case for turbulence models). The results indicated that the modeling of C₂ in the generalized RNG closure model is reasonable, and furthermore, the predictions of the generalized RNG model were in better agreement with experimental data than the standard RNG turbulence model. As a second step, the performance of the generalized RNG closure was investigated for a complex engine flow.

The role of the fluid motion in a diesel engine on mixing and combustion was investigated using the CFD code Kiva-3v. The study considered pre-mixed charge compression ignition (PCCI) combustion that is a hybrid combustion system characterized by early injection timings and high amounts of EGR dilution to delay the start and lower the temperature of combustion. The fuel oxidizer mixture is not homogeneous at the start of combustion and therefore requires further mixing for complete combustion. PCCI combustion systems are characterized by relatively high CO and UHC emissions. This work investigates attenuating CO emissions by enhancing mixing processes through non-uniform flowfield motions. The fluid motion was characterized by the amount of average angular rotation about the cylindrical axis (swirl ratio) and the amount of non-uniform motion imparted by the relative amounts of mass inducted through tangential and helical intake ports in a 0.5L HSDI diesel engine.

The present work proposes a methodology for diesel engine development using multi-dimensional CFD and computer optimization. A multi-objective genetic algorithm coupled with the KIVA3V Release 2 code was used to optimize a high speed direct injection (HSDI) diesel engine for passenger car applications. The simulations were conducted using high-throughput computing with the CONDOR system. An automated grid generator was used for efficient mesh generation with 11 variable piston bowl geometry parameters. The first step in the procedure was to search for an optimal nozzle and piston bowl design. In this case, spray targeting, swirl ratio, and piston bowl shape were optimized separately for two full-load cases using simpler efficient combustion models (the characteristic time scale model and the shell ignition model). The optimal designs from the two optimizations were then validated using a combustion model with detailed chemistry (KIVA-CHEMKIN model and ERC n-heptane mechanism).

This study investigates the potential of controlling premixed charge compression ignition (PCCI and HCCI) combustion strategies by varying fuel reactivity. In-cylinder fuel blending using port fuel injection of gasoline and early cycle direct injection of diesel fuel was used for combustion phasing control at both high and low engine loads and was also effective to control the rate of pressure rise. The first part of the study used the KIVA-CHEMKIN code and a reduced primary reference fuel (PRF) mechanism to suggest optimized fuel blends and EGR combinations for HCCI operation at two engine loads (6 and 11 bar net IMEP). It was found that the minimum fuel consumption could not be achieved using either neat diesel fuel or neat gasoline alone, and that the optimal fuel reactivity required decreased with increasing load. For example, at 11 bar net IMEP, the optimum fuel blend and EGR rate for HCCI operation was found to be PRF 80 and 50%, respectively.

The effects of spray targeting on mixing, combustion, and pollutant formation under a low-load, late-injection, low-temperature combustion (LTC) diesel operating condition are investigated by optical engine measurements and multi-dimensional modeling. Three common spray-targeting strategies are examined: conventional piston-bowl-wall targeting (152° included angle); narrow-angle floor targeting (124° included angle); and wide-angle piston-bowl-lip targeting (160° included angle). Planar laser-induced fluorescence diagnostics in a heavy-duty direct-injection optical diesel engine provide two-dimensional images of fuel-vapor, low-temperature ignition (H2CO), high-temperature ignition (OH) and soot-formation species (PAH) to characterize the LTC combustion process.

The goal of this research is to investigate the physical parameters of stoichiometric operation of a diesel engine under a light load operating condition (6∼7 bar IMEP). This paper focuses on improving the fuel efficiency of stoichiometric operation, for which a fuel consumption penalty relative to standard diesel combustion was found to be 7% from a previous study. The objective is to keep NOx and soot emissions at reasonable levels such that a 3-way catalyst and DPF can be used in an aftertreatment combination to meet 2010 emissions regulation. The effects of intake conditions and the use of group-hole injector nozzles (GHN) on fuel consumption of stoichiometric diesel operation were investigated. Throttled intake conditions exhibited about a 30% fuel penalty compared to the best fuel economy case of high boost/EGR intake conditions. The higher CO emissions of throttled intake cases lead to the poor fuel economy.

Low-temperature combustion (LTC) strategies for diesel engines are of increasing interest because of their potential to significantly reduce particulate matter (PM) and nitrogen oxide (NOx) emissions. LTC with late fuel injection further offers the benefit of combustion phasing control because ignition is closely coupled to the fuel injection event. But with a short ignition-delay, fuel jet mixing processes must be rapid to achieve adequate premixing before ignition. In the current study, mixing and pollutant formation of late-injection LTC are studied in a single-cylinder, direct-injection, optically accessible heavy-duty diesel engine using three laser-based imaging diagnostics. Simultaneous planar laser-induced fluorescence of the hydroxyl radical (OH) and combined formaldehyde (H2CO) and polycyclic aromatic hydrocarbons (PAH) are compared with vapor-fuel concentration measurements from a non-combusting condition.

A computational study was performed to evaluate the effects of bowl geometry, fuel spray targeting and swirl ratio under highly diluted, low-temperature combustion conditions in a heavy-duty diesel engine. This study is used to examine aspects of low-temperature combustion that are affected by mixing processes and offers insight into the effect these processes have on emissions formation and oxidation. The foundation for this exploratory study stems from a large data set which was generated using a genetic algorithm optimization methodology. The main results suggest that an optimal combination of spray targeting, swirl ratio and bowl geometry exist to simultaneously minimize emissions formation and improve soot and CO oxidation rates. Spray targeting was found to have a significant impact on the emissions and fuel consumption performance, and was furthermore found to be the most influential design parameter explored in this study.

Stoichiometric combustion could enable a three-way catalyst to be used for treating NOx emissions of diesel engines, which is one of the most difficult species for diesel engines to meet future emission regulations. Previous study by Lee et al. [1] showed that diesel engines can operate with stoichiometric combustion successfully with only a minor impact on fuel consumption. Low NOx emission levels were another advantage of stoichiometric operation according to that study. In this study, the characteristics of stoichiometric diesel combustion were evaluated experimentally to improve fuel economy as well as exhaust emissions The effects of fuel injection pressure, boost pressure, swirl, intake air temperature, combustion regime (injection timing), and engine load (fuel mass injected) were assessed under stoichiometric conditions.