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The presented work describes how numerical modeling techniques were extended to simulate a full Selective Catalytic Reduction (SCR) NOx aftertreatement system. Besides predicting ammonia-to-NOX ratio (ANR) and uniformity index (UI) at the SCR inlet, the developed numerical model was able to predict NOx reduction and ammonia slip. To reduce the calculation time due to the complexity of the chemical process and flow field within the SCR, a semi-1D approach was developed and applied to model the SCR catalyst, which was subsequently coupled with a 3D model of the rest of the exhaust system. Droplet depletion of urea water solution (UWS) was modeled by vaporization and thermolysis techniques while ammonia generation was modeled by the thermolysis and hydrolysis method. Test data of two different SCR systems were used to calibrate the simulation results. Results obtained using the thermolysis method showed better agreement with test data compared to the vaporization method.

Modeling plume interaction and collapse for direct-injection gasoline sprays is important because of its impact on fuel-air mixing and engine performance. Nevertheless, the aerodynamic interaction between plumes and the complicated two-phase coupling of the evaporating spray has shown to be notoriously difficult to predict. With the availability of high-speed (100 kHz) Particle Image Velocimetry (PIV) experimental data, we compare velocity field predictions between plumes to observe the full temporal evolution leading up to plume merging and complete spray collapse. The target “Spray G” operating conditions of the Engine Combustion Network (ECN) is the focus of the work, including parametric variations in ambient gas temperature. We apply both LES and RANS spray models in different CFD platforms, outlining features of the spray that are most critical to model in order to predict the correct aerodynamics and fuel-air mixing.

As the efforts to push capabilities of current engine hardware to their durability limits increases, more accurate and reliable analysis is necessary to ensure that designs are robust. This paper evaluates a method of Conjugate Heat Transfer (CHT) analysis for a gasoline and a diesel engine that combines combustion Computational Fluid Dynamics (CFD), engine Finite Element Analysis (FEA), and cooling jacket CFD with the goal of obtaining more accurate temperature distribution and heat loss predictions in an engine compared to standard de-coupled CFD and FEA analysis methods. This novel CHT technique was successfully applied to a 2.5 liter GM LHU gasoline engine at 3000 rpm and a 15.0 liter Cummins ISX heavy duty diesel engine operating at 1250 rpm. Combustion CFD simulations results for the gasoline and diesel engines are validated with the experimental data for cylinder pressure and heat release rate.

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).

Traditional Lagrangian spray modeling approaches for internal combustion engines are highly grid-dependent due to insufficient resolution in the near nozzle region. This is primarily because of inherent restrictions of volume fraction with the Lagrangian assumption together with high computational costs associated with small grid sizes. A state-of-the-art grid-convergent spray modeling approach was recently developed and implemented by Senecal et al., (ASME-ICEF2012-92043) in the CONVERGE software. The key features of the methodology include Adaptive Mesh Refinement (AMR), advanced liquid-gas momentum coupling, and improved distribution of the liquid phase, which enables use of cell sizes smaller than the nozzle diameter. This modeling approach was rigorously validated against non-evaporating, evaporating, and reacting data from the literature.

The 4th Workshop of the Engine Combustion Network (ECN) was held September 5-6, 2015 in Kyoto, Japan. This manuscript presents a summary of the progress in experiments and modeling among ECN contributors leading to a better understanding of soot formation under the ECN “Spray A” configuration and some parametric variants. Relevant published and unpublished work from prior ECN workshops is reviewed. Experiments measuring soot particle size and morphology, soot volume fraction (fv), and transient soot mass have been conducted at various international institutions providing target data for improvements to computational models. Multiple modeling contributions using both the Reynolds Averaged Navier-Stokes (RANS) Equations approach and the Large-Eddy Simulation (LES) approach have been submitted. Among these, various chemical mechanisms, soot models, and turbulence-chemistry interaction (TCI) methodologies have been considered.

A unique single cylinder engine was used to assess engine performance and combustion characteristics at three different strokes, with all other variables held constant. The engine utilized a production four-valve, pentroof cylinder head with an 86mm bore. The stock piston was used, and a variable deck height design allowed three crankshafts with strokes of 86, 98, and 115mm to be tested. The compression ratio was also held constant. The engine was run with a controlled boost-to-backpressure ratio to simulate turbocharged operation, and the valve events were optimized for each operating condition using intake and exhaust cam phasers. EGR rates were swept from zero to twenty percent under low and high speed conditions, at MBT and maximum retard ignition timings. The increased stroke engines demonstrated efficiency gains under all operating conditions, as well as measurably reduced 10-to-90 percent burn durations.

For several years there has been a great deal of effort made in researching ways to run a compression ignition engine with simultaneously high efficiency and low emissions. Recently much of this focus has been dedicated to using gasoline-like fuels that are more volatile and less reactive than conventional diesel fuel to allow the combustion to be more premixed. One of the key challenges to using fuels with such properties in a compression ignition engine is stable engine operation at low loads. This paper provides an analysis of how stable gasoline compression ignition (GCI) engine operation was achieved down to idle speed and load on a multi-cylinder compression ignition engine using only 87 anti-knock index (AKI) gasoline. The variables explored to extend stable engine operation to idle included: uncooled exhaust gas recirculation (EGR), injection timing, injection pressure, and injector nozzle geometry.

As the design of engines advances and continues to push the capabilities of current hardware closer to their durability limits, more accurate and reliable analysis is necessary to ensure that designs are robust. This research evaluates a method of conjugate heat transfer analysis for a diesel engine that combines the combustion CFD, Engine FEA, and cooling jacket CFD with the aim of getting more accurate heat loss predictions and a more accurate temperature distribution in the engine than with current analysis methods. A 15.0 L Cummins ISX heavy duty engine operating at 1250 RPM and 15 bar BMEP load is selected for this work. Spray combustion computational fluid dynamics (CFD) simulations are performed for the diesel engine and the results are validated with experimental data. Finite Element Analysis (FEA) simulations were performed in a separate software platform.

Combustion systems with advanced injection strategies have been extensively studied, but there still exists a significant fundamental knowledge gap on fuel spray interactions with the piston surface and chamber walls. This paper is meant to provide detailed data on spray-wall impingement physics and support the spray-wall model development. The experimental work of spray-wall impingement with non-vaporizing spray characterization, was carried out in a high pressure-temperature constant-volume combustion vessel. The simultaneous Mie scattering of liquid spray and schlieren of liquid and vapor spray were carried out. Diesel fuel was injected at a pressure of 1500 bar into ambient gas at a density of 22.8 kg/m3 with isothermal conditions (fuel, ambient, and plate temperatures of 423 K). A Lagrangian-Eulerian modeling approach was employed to characterize the spray-gas and spray-wall interactions in the CONVERGETM framework by means of a Reynolds-Averaged Navier-Stokes (RANS) formulation.

The modeling of fuel jet atomization is key in the characterization of Internal Combustion (IC) engines, and 3D Computational Fluid Dynamics (CFD) is a recognized tool to provide insights for design and control purposes. Multi-hole injectors with counter-bored nozzle are the standard for Gasoline Direct Injection (GDI) applications and the Spray-G injector from the Engine Combustion Network (ECN) is considered the reference for numerical studies, thanks to the availability of extensive experimental data. In this work, the behavior of the Spray-G injector is simulated in a constant volume chamber, ranging from sub-cooled (nominal G) to flashing conditions (G2), validating the models on Diffused Back Illumination and Phase Doppler Anemometry data collected in vaporizing inert conditions.

The basic idea behind large-eddy simulation (LES) is to accurately resolve the large energy-containing scales and to use subgrid-scale (SGS) models for the smaller scales. The accuracy of LES can be significantly impacted by the numerical discretization schemes and the choice of the SGS model. This work investigates the accuracy of low-order LES codes in the simulation of a turbulent round jet which is representative of fuel jets in engines. The turbulent jet studied is isothermal with a Reynolds number of 6800. It is simulated using Converge, which is second-order accurate in space and first-order in time, and FLEDS, developed at Purdue University, which is sixth-order accurate in space and fourth-order in time. The high-order code requires the resolution of acoustic time-scales and hence is approximately 10 times more expensive than the low-order code.

A computational fluid dynamics (CFD) guided combustion system optimization was conducted for a heavy-duty diesel engine running with a gasoline fuel that has a research octane number (RON) of 80. The goal was to optimize the gasoline compression ignition (GCI) combustion recipe (piston bowl geometry, injector spray pattern, in-cylinder swirl motion, and thermal boundary conditions) for improved fuel efficiency while maintaining engine-out NOx within a 1-1.5 g/kW-hr window. The numerical model was developed using the multi-dimensional CFD software CONVERGE. A two-stage design of experiments (DoE) approach was employed with the first stage focusing on the piston bowl shape optimization and the second addressing refinement of the combustion recipe. For optimizing the piston bowl geometry, a software tool, CAESES, was utilized to automatically perturb key bowl design parameters. This led to the generation of 256 combustion chamber designs evaluated at several engine operating conditions.

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.

The widely accepted best practice for spark-ignition combustion is the four-valve pent-roof chamber using a central sparkplug and incorporating tumble flow during the intake event. The bulk tumble flow readily breaks up during the compression stroke to fine-scale turbulent kinetic energy desired for rapid, robust combustion. The natural gas engines used in medium- and heavy-truck applications would benefit from a similar, high-tumble pent-roof combustion chamber. However, these engines are invariably derived from their higher-volume diesel counterparts, and the production volumes are insufficient to justify the amount of modification required to incorporate a pent-roof system. The objective of this multi-dimensional computational study was to develop a combustion chamber addressing the objectives of a pent-roof chamber while maintaining the flat firedeck and vertical valve orientation of the diesel engine.

In this study, the combustion system of a light-duty compression ignition engine running on a market gasoline fuel with Research Octane Number (RON) of 91 was optimized using computational fluid dynamics (CFD) and Machine Learning (ML). This work was focused on optimizing the piston bowl geometry at two compression ratios (CR) (17 and 18:1) and this exercise was carried out at full-load conditions (20 bar indicated mean effective pressure, IMEP). First, a limited manual piston design optimization was performed for CR 17:1, where a couple of pistons were designed and tested. Thereafter, a CFD design of experiments (DoE) optimization was performed where CAESES, a commercial software tool, was used to automatically perturb key bowl design parameters and CONVERGE software was utilized to perform the CFD simulations. At each compression ratio, 128 piston bowl designs were evaluated.

The primary objective of the research discussed here was to compare the commercial computational fluid dynamics (CFD) software, CONVERGE, and a prevalent open-source code, OpenFOAM, with regard to their ability to predict spray and combustion characteristics. The high-fidelity data were obtained from the Engine Combustion Network (ECN) at Sandia National Laboratory in a constant-volume combustion vessel under well-defined, controlled conditions. The experiments and simulations were performed by using two diesel surrogate fuels (i.e., n-heptane and n-dodecane) under both non-reacting and reacting conditions. Specifically, ECN data on spray penetration, liquid length, vapor penetration, mixture fraction, ignition delay, and flame lift-off length (LOL) were used to validate both codes. Results indicate that both codes can predict the above experimental characteristics very well.

It is well known that in-nozzle flow behavior can significantly influence the near-nozzle spray formation and mixing that in turn affect engine performance and emissions. This in-nozzle flow behavior can, in turn, be significantly influenced by fuel properties. The goal of this study is to characterize the behavior of two different fuels, namely, a straight-run naphtha that has an anti-knock index of 58 (denoted as “Full-Range Naphtha”) and n-dodecane, in a simulated multi-hole common-rail diesel fuel injector. Simulations were carried out using a fully compressible multi-phase flow representation based on the mixture model assumption with the Volume of Fluid method. Our previous studies have shown that the characteristics of internal and near-nozzle flow are strongly related to needle motion in both the along- and off-axis directions.

A comprehensive 3D Computational Fluid Dynamics (CFD) with conjugate heat transfer (CHT) tool was developed in-house for a Tesla Model 3 electric motor. To accurately predict the power loss (heat generation) inside the electric motor, the electromagnetic process was solved to obtain the spatial-dependent power loss in the rotor, stator, and windings. CFD was utilized for simulating the coolant oil flow using the multiphase Volume of Fluid (VOF) approach and Finite Element Analysis (FEA) was used for simulating the thermal process within the solid domains. These three separate analysis modules (electromagnetic, fluid flow and thermal solid) were coupled strongly to enable two-way interactions. Thermal results obtained from the final converged simulations were compared to the test data obtained from the thermocouple measurements for the two most representative operating points of this e-motor and showed reasonable predictions with similar trend as observed in the test.

The primary strength of large eddy simulation (LES) is in directly resolving the instantaneous large-scale flow features which can then be used to study critical flame properties such as ignition, extinction, flame propagation and lift-off. However, validation of the LES results with experimental or direct numerical simulation (DNS) datasets requires the determination of statistically-averaged quantities. This is typically done by performing multiple realizations of LES and performing a statistical averaging among this sample. In this study, LES of n-dodecane spray flame is performed using a well-mixed turbulent combustion model along with a dynamic structure subgrid model. A high-resolution mesh is employed with a cell size of 62.5 microns in the entire spray and combustion regions. The computational cost of each calculation was in the order of 3 weeks on 200 processors with a peak cell count of about 22 million at 1 ms.