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The present work discusses the potential benefits of using computational fluid dynamics (CFD) simulation and artificial intelligence (AI) in the design and optimization of hydrogen internal combustion engines (H2ICEs). A Machine Learning (ML) model is developed and applied to the CFD simulation data to identify optimal injection system parameters on the Sandia H2ICE Engine to improve the mixing. This approach can aid in developing predictive ML models to guide the design of future H2ICEs. For the current engine configuration, it is observed that hydrogen (H2) gas injection contributes mixing of H2 with air. If the injector parameters are optimized, mixture preparation is better and eventually combustion. A base CFD model is validated from the Sandia H2ICE engine data against Particle Image Velocimetry (PIV) data for velocity and Planar Laser Induced Fluorescence (PLIF) data for H2 mass fraction.

Mitigating human-made climate change means cutting greenhouse gas (GHG) emissions, especially carbon dioxide (CO2), which causes climate change. One approach to achieving this is to move to a carbon-free economy where carbon emissions are offset by carbon removal or sequestration. Transportation is a significant contributor to CO2 emissions, so finding renewable alternatives to fossil fuels is crucial. Green hydrogen-fueled engines can reduce the carbon footprint of transportation and help achieve a carbon-free economy. However, hydrogen combustion is challenging in an internal combustion engine due to flame instabilities, pre-ignition, and backfire. Numerical modeling of hydrogen combustion is necessary to optimize engine performance and reduce emissions. In this work, a numerical methodology is proposed to model lean hydrogen combustion in a turbocharged port fuel injection (PFI) spark-ignition (SI) engine for automotive applications.

Investigating combustion characteristics of oxygenated gasoline and gasoline blended ethanol is a subject of recent interest. The non-linearity in the interaction of fuel components in the oxygenated gasoline can be studied by developing chemical kinetics of relevant surrogate of fewer components. This work proposes a new reduced four-component (isooctane, heptane, toluene, and ethanol) oxygenated gasoline surrogate mechanism consisting of 67 species and 325 reactions, applicable for dynamic CFD applications in engine combustion and sprays. The model introduces the addition of eight C1-C3 species into the previous model (Li et al; 2019) followed by extensive tuning of reaction rate constants of C7 - C8 chemistry. The current mechanism delivers excellent prediction capabilities in comprehensive combustion applications with an improved performance in lean conditions.

Gasoline compression ignition (GCI) has been shown to offer benefits in the NOx-soot tradeoff over conventional diesel combustion while still achieving high fuel efficiency. However, due to gasoline’s low reactivity, it is challenging for GCI to attain robust ignition and stable combustion under cold operating conditions. Building on previous work to evaluate glow plug-assisted GCI combustion at cold idle, this work evaluates the use of a spark plug to assist combustion. The closed-cycle 3-D CFD model was validated against GCI test results at a compression ratio of 17.3 during extended cold idle operation under laboratory-controlled conditions. A market representative, ethanol-free, gasoline (RON92, E0) was used in both the experiment and the numerical analysis. Spark-assisted simulations were performed by incorporating an ignition model with the spark energy required for stable combustion at cold start.

In this last decade, non-destructive X-ray measurement techniques have provided unique insights into the internal surface and flow characteristics of automotive injectors. This has in turn contributed to enhancing the accuracy of Computational Fluid Dynamics (CFD) models of these critical injection system components. By employing realistic injector geometries in CFD simulations, designers and modelers have identified ways to modify the injectors’ design to improve their performance. In recent work, the authors investigated the occurrence of cavitation in a heavy-duty multi-hole diesel injector operating with a high-volatility gasoline-like fuel for gasoline compression ignition applications. They proposed a comprehensive numerical study in which the original diesel injector design would be modified with the goal of suppressing the in-nozzle cavitation that occurs when gasoline fuels are used.

The combustion system of a heavy-duty diesel engine operated in a gasoline compression ignition mode was optimized using a CFD-based response surface methodology and a machine learning genetic algorithm. One common dataset obtained from a CFD design of experiment campaign was used to construct response surfaces and train machine learning models. 128 designs were included in the campaign and were evaluated across three engine load conditions using the CONVERGE CFD solver. The design variables included piston bowl geometry, injector specifications, and swirl ratio, and the objective variables were fuel consumption, criteria emissions, and mechanical design constraints. In this study, the two approaches were extensively investigated and applied to a common dataset. The response surface-based approach utilized a combination of three modeling techniques to construct response surfaces to enhance the performance of predictions.

A computational fluid dynamics (CFD) guided design optimization was conducted for the piston bowl geometry for a heavy-duty diesel engine. The optimization goal was to minimize engine-out NOx emissions without sacrificing engine peak power and thermal efficiency. The CFD model was validated with experiments and the combustion system optimization was conducted under three selected operating conditions representing low speed, maximum torque, and rated power. A hundred piston bowl shapes were generated, of which 32 shapes with 3 spray angles for each shape were numerically analyzed and one optimized design of piston bowl geometry with spray angle was selected. On average, the optimized combustion system decreased nitrogen oxide (NOx) emissions by 17% and soot emissions by 41% without compromising maximum engine power and fuel economy.

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.

Achieving robust ignitability for compression ignition of diesel engines at cold conditions is traditionally challenging due to insufficient fuel vaporization, heavy wall impingement, and thick wall films. Gasoline compression ignition (GCI) has shown the potential to offer an enhanced NOx-particulate matter tradeoff with diesel-like fuel efficiency, but it is unknown how the volatility and reactivity of the fuel will affect ignition under very cold conditions. Therefore, it is important to investigate the impact of fuel physical and chemical properties on ignition under pressures and temperatures relevant to practical engine operating conditions during cold weather. In this paper, 0-D and 3-D computational fluid dynamics (CFD) simulations of GCI combustion at cold conditions were performed.

Fuel stratification effects on the combustion and emissions behaviors for partially premixed compression ignition (PPCI) combustion of a high reactivity gasoline (research octane number of 80) was investigated using the third generation Gasoline Direct-Injection Compression Ignition (Gen3 GDCI) multi-cylinder engine. The PPCI combustion mode was achieved through a double injection strategy. The extent of in-cylinder fuel stratification was tailored by varying the start of second fuel injection timing (SOIsecond) while the first fuel injection event was held constant and occurred during the intake stroke. Based on the experimental results, three combustion characteristic zones were identified in terms of the SOIsecond - CA50 (crank angle at 50% cumulative heat release) relationship: (I) no response zone (HCCI-like combustion); (II) negative CA50 slope zone: (early PPCI mode); and (III) positive CA50 slope zone (late PPCI mode).

A detailed study of various air system configurations has been conducted for a prototype gasoline compression ignition (GCI) engine using a Cummins MY2013 ISX15 heavy-duty diesel engine as the base platform. The study evaluated the configurations with the assumption that RON80 gasoline would be used as the fuel and the combustion chamber would have a geometric compression ratio (CR) of 16.5. Using 3-D computational fluid dynamics (CFD) simulations, a high efficiency & low engine-out NOx GCI combustion recipe was developed across the five engine operating points from the heavy-duty Supplemental Emissions Test (SET) cycle: A100, B25, B50, B75, and C100. The CFD generated air-thermal boundary conditions and the combustion burn-rate & injector rate-of-injection profiles were imported into a calibrated 1-D engine model for the air-handling systems analysis.

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.

This research investigates the potential of gasoline compression ignition (GCI) to achieve low engine-out NOx emissions with high fuel efficiency in a heavy-duty diesel engine. The experimental work was conducted in a model year (MY) 2013 Cummins ISX15 heavy-duty diesel engine, covering a load range of 5 to 15 bar BMEP at 1375 rpm. The engine compression ratio (CR) was reduced from the production level of 18.9 to 15.7 without altering the combustion bowl design. In this work, four gasolines with research octane number (RON) ranging from 58 to 93 were studied. Overall, GCI operation resulted in enhanced premixed combustion, improved NOx-soot tradeoffs, and similar or moderately improved fuel efficiency compared to diesel combustion. A split fuel injection strategy was employed for the two lower reactivity gasolines (RON80 and RON93), while the RON60 and RON70 gasolines used a single fuel injection strategy.

The accurate modeling of fuel spray behavior under diesel engine conditions requires well-characterized boundary conditions. Among those conditions, the spray cone angle is important due to its impact on the spray mixing process, flame lift-off locations and subsequent soot formation. The spray cone angle is a highly dynamic variable, but existing correlations have been developed mainly for diesel fuels at quasi-steady state and relatively low injection pressures. The objective of this study was to develop spray cone angle correlations for both diesel and a light-end gasoline fuel over a wide range of diesel-engine operating conditions that are capable of capturing both the transient and quasi-steady state processes. Two important macroscopic characteristics of solid cone sprays, the spray cone angle and spray penetration, were measured using a single-hole heavy-duty injector using two fuels at diesel engine conditions in an optical constant volume vessel.

Toluene primary reference fuel (TPRF) (mixture of toluene, iso-octane and heptane) is a suitable surrogate to represent a wide spectrum of real fuels with varying octane sensitivity. Investigating different surrogates in engine simulations is a prerequisite to identify the best matching mixture. However, running 3D engine simulations using detailed models is currently impossible and reduction of detailed models is essential. This work presents an AramcoMech reduced kinetic model developed at King Abdullah University of Science and Technology (KAUST) for simulating complex TPRF surrogate blends. A semi-decoupling approach was used together with species and reaction lumping to obtain a reduced kinetic model. The model was widely validated against experimental data including shock tube ignition delay times and premixed laminar flame speeds. Finally, the model was utilized to simulate the combustion of a low reactivity gasoline fuel under partially premixed combustion 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.

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 current study utilized 3-D computational fluid dynamics (CFD) combustion analysis to guide the development of a viable full load range combustion strategy in a light-duty gasoline compression ignition (GCI) engine. A higher reactivity gasoline that has a research octane number (RON) of 70 was used for the combustion strategy development. The engine has a geometric compression ratio of 14.5 with a piston bowl designed to accommodate different combustion strategies and injector spray patterns. Detailed combustion optimization was focused on 6 and 18 bar gross indicated mean effective pressure (IMEPg) at 1500 rpm through a Design of Experiments approach. Two different strategies were investigated: (a) a late triggering fuel injection with a wide spray angle (combustion strategy #1); and (b) an early triggering fuel injection with a narrow spray angle (combustion strategy #2).

This research investigates the combustion characteristics and engine performance of a conventional non-ethanol gasoline with a research octane number of 91(RON 91) and a higher reactivity RON80 gasoline under mixing-controlled combustion. The work was conducted in a model year 2013 Cummins ISX15 heavy-duty diesel engine. A split fuel injection strategy was developed to address the long ignition delay and high maximum pressure rise rate for the two gasoline fuels. Using the split fuel injection strategy, steady-state NOx sweeps were conducted at 1375 rpm with a load sweep from 5 to 15 bar BMEP. At 5 and 10 bar BMEP, both gasolines consistently exhibited lower soot levels than ULSD with the reduction more pronounced at 5 bar BMEP. 3-D CFD combustion simulation suggested that the higher volatility and lower viscosity of gasoline fuels can help improve the in-cylinder air utilization and therefore reduce the presence of fuel-rich regions in the combustion chamber.

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.