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Premixed Charge Compression Ignition (PCCI), a Low Temperature Combustion (LTC) strategy for diesel engines is of increasing interest due to its potential to simultaneously reduce soot and NOx emissions. However, the influence of mixture preparation on combustion phasing and heat release rate in LTC is not fully understood. In the present study, the influence of injection timing on mixture preparation, combustion and emissions in PCCI mode is investigated by experimental and computational methods. A sequential coupling approach of 3D CFD with a Stochastic Reactor Model (SRM) is used to simulate the PCCI engine. The SRM accounts for detailed chemical kinetics, convective heat transfer and turbulent micro-mixing. In this integrated approach, the temperature-equivalence ratio statistics obtained using KIVA 3V are mapped onto the stochastic particle ensemble used in the SRM.

This paper implements a coupled approach to integrate the internal nozzle flow and the ensuing fuel spray using a Volume-of-Fluid (VOF) method in the CONVERGE CFD software. A VOF method was used to model the internal nozzle two-phase flow with a cavitation description closed by the homogeneous relaxation model of Bilicki and Kestin [1]. An Eulerian single velocity field approach by Vallet et al. [2] was implemented for near-nozzle spray modeling. This Eulerian approach considers the liquid and gas phases as a complex mixture with a highly variable density to describe near nozzle dense sprays. The mean density is obtained from the Favreaveraged liquid mass fraction. The liquid mass fraction is transported with a model for the turbulent liquid diffusion flux into the gas.

Shock waves have been recently observed in high-pressure diesel sprays. In this paper, three-dimensional numerical simulations of supersonic diesel spray injection have been performed to investigate the underlying dynamics of the induced shock waves and their interactions with the spray. A Volume-of-Fluid based method in the CFD software (CONVERGE) is used to model this multiphase phenomena. An adaptive Mesh Refinement (AMR) scheme is employed to capture the front of the spray and the shock waves with high fidelity. Simulation results are compared to the available experimental observations to validate the numerical procedure. Parametric studies with different injection and ambient conditions are conducted to examine the effect of these factors on the generation of shock waves and their dynamics.

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.

A Machine Learning-Genetic Algorithm (ML-GA) approach was developed to virtually discover optimum designs using training data generated from multi-dimensional simulations. Machine learning (ML) presents a pathway to transform complex physical processes that occur in a combustion engine into compact informational processes. In the present work, a total of over 2000 sector-mesh computational fluid dynamics (CFD) simulations of a heavy-duty engine were performed. These were run concurrently on a supercomputer to reduce overall turnaround time. The engine being optimized was run on a low-octane (RON70) gasoline fuel under partially premixed compression ignition (PPCI) mode. A total of nine input parameters were varied, and the CFD simulation cases were generated by randomly sampling points from this nine-dimensional input space. These input parameters included fuel injection strategy, injector design, and various in-cylinder flow and thermodynamic conditions at intake valve closure (IVC).

Fundamental understanding of the sources of fuel-derived Unburned Hydrocarbon (UHC) emissions in heavy duty diesel engines is a key piece of knowledge that impacts engine combustion system development. Current emissions regulations for hydrocarbons can be difficult to meet in-cylinder and thus after treatment technologies such as oxidation catalysts are typically used, which can be costly. In this work, Computational Fluid Dynamics (CFD) simulations are combined with engine experiments in an effort to build an understanding of hydrocarbon sources. In the experiments, the combustion system design was varied through injector style, injector rate shape, combustion chamber geometry, and calibration, to study the impact on UHC emissions from mixing-controlled diesel combustion.

The Reynolds stress turbulence model (RSM) has been developed to go beyond the Boussinesq hypothesis and to improve turbulence modeling of flows with significant mean streamline curvature and secondary flow. In this paper the RSM in commercial CFD software CONVERGE is tested for its performance and robustness when applying to complex flows. Several validation cases including flow over flat plate, vortex combustor, diesel engine spray and combustion were selected to test the RSM. The swirling flow in vortex combustor, non-reacting but vaporizing ECN Spray A (free jet) and Sandia small bore diesel engine case are used to demonstrate the benefits of the RSM over the widely used RNG k-epsilon model without model tuning. The vortex combustor case shows the RSM can provide good prediction for strong swirling flow. ECN spray A case was used to demonstrate that the RSM can accurately predict the liquid and vapor penetration lengths of a free jet under diesel engine conditions.

This paper investigates flow and combustion in a full-cycle simulation of a four-stroke, three-valve HCCI engine by visualizing the flow with pathlines. Pathlines trace massless particles in a transient flow field. In addition to visualization, pathlines are used here to trace the history, or evolution, of flow fields and species. In this study evolution is followed from the intake port through combustion. Pathline analysis follows packets of intake charge in time and space from induction through combustion. The local scalar fields traversed by the individual packets in terms of velocity magnitude, turbulence, species concentration and temperatures are extracted from the simulation results. The results show how the intake event establishes local chemical and thermal environments in-cylinder and how the species respond (chemically react) to the local field.

The purpose of this research is to develop a prediction technique that can be used in the development of port fuel-injection (hereinafter called PFI) gasoline engines, especially for general purpose small utility engines. Utility engines have two contradictory desirable aspects: compactness and high-power at wide open throttle. Therefore, applying the port fuel injector to utility engines presents a unique intractableness that is different from application to automobiles or motorcycles. At the condition of wide open throttle, a large amount of fuel is required to output high power, and injected fuel is deposited as a wall film on the intake port wall. Despite the fuel rich condition, emissions are required to be kept under a certain level. Thus, it is significant to understand the wall film phenomenon and control film thickness in the intake ports.

Many recent studies have shown that the Reactivity Controlled Compression Ignition (RCCI) combustion strategy can achieve high efficiency with low emissions. However, it has also been revealed that RCCI combustion is difficult at high loads due to its premixed nature. To operate at moderate to high loads with gasoline/diesel dual fuel, high amounts of EGR or an ultra low compression ratio have shown to be required. Considering that both of these approaches inherently lower thermodynamic efficiency, in this study natural gas was utilized as a replacement for gasoline as the low-reactivity fuel. Due to the lower reactivity (i.e., higher octane number) of natural gas compared to gasoline, it was hypothesized to be a better fuel for RCCI combustion, in which a large reactivity gradient between the two fuels is beneficial in controlling the maximum pressure rise rate.

Single-cylinder engine experiments and computational fluid dynamics (CFD) modeling were used in this study to conduct a comprehensive evaluation of the accuracy of the modeling approach, with a focus on soot emissions. A semi-empirical soot model, the classic two-step Hiroyasu model with Nagle and Strickland-Constable oxidation, was used. A broad range of direct-injected (DI) combustion systems were investigated to assess the predictive accuracy of the soot model as a design tool for modern DI diesel engines. Experiments were conducted on a 2.5 liter single-cylinder engine. Combustion system combinations included three unique piston bowl shapes and seven variants of a common rail fuel injector. The pistons included a baseline “Mexican hat” piston, a reentrant piston, and a non-axisymmetric piston similar to the Volvo WAVE design. The injectors featured six or seven holes and systematically varied included angles from 120 to 150 degrees and hole sizes from 170 to 273 μm.

Fuels in the gasoline auto-ignition range (Research Octane Number (RON) > 60) have been demonstrated to be effective alternatives to diesel fuel in compression ignition engines. Such fuels allow more time for mixing with oxygen before combustion starts, owing to longer ignition delay. Moreover, by controlling fuel injection timing, it can be ensured that the in-cylinder mixture is “premixed enough” before combustion occurs to prevent soot formation while remaining “sufficiently inhomogeneous” in order to avoid excessive heat release rates. Gasoline compression ignition (GCI) has the potential to offer diesel-like efficiency at a lower cost and can be achieved with fuels such as low-octane straight run gasoline which require significantly less processing in the refinery compared to today’s fuels.

The internal structure of Diesel fuel injectors is known to have a significant impact on the nozzle flow and the resulting spray emerging from each hole. In this paper the three-dimensional transient flow structures inside a Diesel injector is studied under nominal (in-axis) and realistic (including off-axis lateral motion) operating conditions of the needle. Numerical simulations are performed in the commercial CFD code CONVERGE, using a two-phase flow representation based on a mixture model with Volume of Fluid (VOF) method. Moving boundaries are easily handled in the code, which uses a cut-cell Cartesian method for grid generation at run time. First, a grid sensitivity study has been performed and mesh requirements are discussed. Then the results of moving needle calculations are discussed. Realistic radial perturbations (wobbles) of the needle motion have been applied to analyze their impact on the nozzle flow characteristics.

In a typical automotive SCR system, the urea-water solution is injected into the exhaust gas stream and breaks up into small droplets through the atomization process due to the interaction with the exhaust gas flow. The water vapor is released by vaporization and leaves the urea component in the droplets. The urea component is converted to ammonia and iso-cyanic acid and other species through thermal decomposition and hydrolysis processes. A multi-dimensional CFD model is developed in the present study to simulate injection and mixing in the automotive SCR systems. The urea-water solution is modeled as a bi-component liquid mixture with evaporation laws for each component. A Lagrangian method with spray sub-models is used to track the liquid droplets and the atomization process. The thermal decomposition and hydrolysis processes of the urea and iso-cyanic acid are simulated by simplified two-step reaction mechanisms.

Computational fluid dynamic (CFD) simulations that include realistic combustion/emissions chemistry hold the promise of significantly shortening the development time for advanced high-efficiency, low-emission engines. However, significant challenges must be overcome to realize this potential. This paper discusses these challenges in the context of diesel combustion and outlines a technical program based on the use of surrogate fuels that sufficiently emulate the chemical complexity inherent in conventional diesel fuel.

A global optimization method has been developed for an engine simulation code and utilized in the search of optimal fuel injection strategies. This method uses a Lagrange interpolation function which interpolates engine output data generated at the vertices and the intermediate points of the input parameters. This interpolation function is then used to find a global minimum over the entire parameter set, which in turn becomes the starting point of a CFD-based optimization. The CFD optimization is based on a steepest descent method with an adaptive cost function, where the line searches are performed with a fast-converging backtracking algorithm. The adaptive cost function is based on the penalty method, where the penalty coefficient is increased after every line search. The parameter space is normalized and, thus, the optimization occurs over the unit cube in higher-dimensional space.

Determining quality levels of analyses process is important in terms of being able to estimate the quality levels. This paper presents an approach based on 6 sigma methodology to estimate the quality levels of engineering analyses. The analyses types covered here are structural and computational fluid dynamics (CFD) types. Three examples covering the analyses types are presented here that show the way quality levels are reported. With the aim of continuous improvement of the analysis process, there is a need to build quality metrics specific to different product types. Future work is aimed to address this need for specific quality metrics.

The lift-off length plays a significant role in spray combustion as it influences the air entrainment upstream of the lift-off location and hence the soot formation. Accurate prediction of lift-off length thus becomes a prerequisite for accurate soot prediction in lifted flames. In the present study, KIVA-3v coupled with CHEMKIN, as developed at the Engine Research Center (ERC), is used as the CFD model. Experimental data from the Sandia National Labs. is used for validating the model predictions of n-heptane lift-off lengths and soot formation details in a constant volume combustion chamber. It is seen that the model predictions, in terms of lift-off length and soot mass, agree well with the experimental results for low ambient density (14.8 kg/m3) cases with different EGR rates (21% O2 - 8% O2). However, for high density cases (30 kg/m3) with different EGR rates (15% O2 - 8% O2) disagreements were found.

Multi-zone CFD simulations with detailed kinetics were used to model iso-octane HCCI experiments performed on a single-cylinder research engine. The modeling goals were to validate the method (multi-zone combustion modeling) and the reaction mechanism (LLNL 857 species iso-octane) by comparing model results to detailed exhaust speciation data, which was obtained with gas chromatography. The model is compared to experiments run at 1200 RPM and 1.35 bar boost pressure over an equivalence ratio range from 0.08 to 0.28. Fuel was introduced far upstream to ensure fuel and air homogeneity prior to entering the 13.8:1 compression ratio, shallow-bowl combustion chamber of this 4-stroke engine. The CFD grid incorporated a very detailed representation of the crevices, including the top-land ring crevice and head-gasket crevice. The ring crevice is resolved all the way into the ring pocket volume. The detailed grid was required to capture regions where emission species are formed and retained.

Transient engine operations are modeled and simulated with a 1-D code (GT Power) using heat release and emission data computed by a 3-D CFD code (Kiva3). During each iteration step of a transient engine simulation, the 1-D code utilizes the 3-D data to interpolate the values for heat release and emissions. The 3-D CFD computations were performed for the compression and combustion stroke of strategically chosen engine operating points considering engine speed, torque and excess air. The 3-D inlet conditions were obtained from the 1-D code, which utilized 3-D heat release data from the previous 1-D unsteady computations. In most cases, only two different sets of 3-D input data are needed to interpolate the transient phase between two engine operating points. This keeps the computation time at a reasonable level. The results are demonstrated on the load response of a generator which is driven by a medium-speed diesel engine.