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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.

Knock is a major bottleneck to achieving higher thermal efficiency in spark ignition (SI) engines. The overall tendency to knock is highly dependent on fuel anti-knock quality as well as engine operating conditions. It is, therefore, critical to gain a better understanding of fuel-engine interactions in order to develop robust knock mitigation strategies. In the present work, a numerical model based on three-dimensional (3-D) computational fluid dynamics (CFD) was developed to capture knock in a Cooperative Fuel Research (CFR) engine. For combustion modeling, a hybrid approach incorporating the G-equation model to track turbulent flame propagation, and a homogeneous reactor multi-zone model to predict end-gas auto-ignition ahead of the flame front and post-flame oxidation in the burned zone, was employed.

Using gasoline and diesel simultaneously in a dual-fuel combustion system has shown effective benefits in terms of both brake thermal efficiency and exhaust emissions. In this study, the dual-fuel approach is applied to a light-duty spark ignition (SI) gasoline direct injection (GDI) engine. Three combustion modes are proposed based on the engine load, diesel micro-pilot (DMP) combustion at high load, SI combustion at low load, and diesel assisted spark-ignition (DASI) combustion in the transition zone. Major focus is put on the DMP mode, where the diesel fuel acts as an enhancer for ignition and combustion of the mixture of gasoline, air, and recirculated exhaust gas. Computational fluid dynamics (CFD) is used to simulate the dual-fuel combustion with the final goal of supporting the comprehensive optimization of the main engine parameters.