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Hydrogen is widely considered a promising fuel for future transportation applications for both, internal combustion engines and fuel cells. Due to their advanced stage of development and immediate availability hydrogen combustion engines could act as a bridging technology towards a wide-spread hydrogen infrastructure. Although fuel cell vehicles are expected to surpass hydrogen combustion engine vehicles in terms of efficiency, the difference in efficiency might not be as significant as widely anticipated [1]. Hydrogen combustion engines have been shown capable of achieving efficiencies of up to 45 % [2]. One of the remaining challenges is the reduction of nitric oxide emissions while achieving peak engine efficiencies. This paper summarizes research work performed on a single-cylinder hydrogen direct injection engine at Argonne National Laboratory.

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.

This work involves modeling internal and near-nozzle flows of a gasoline direct injection (GDI) nozzle. The Engine Combustion Network (ECN) Spray G condition has been considered for these simulations using the nominal geometry of the Spray G injector. First, best practices for numerical simulation of the two-phase flow evolution inside and the near-nozzle regions of the Spray G injector are presented for the peak needle lift. The mass flow rate prediction for peak needle lift was in reasonable agreement with experimental data available in the ECN database. Liquid plume targeting angle and liquid penetration estimates showed promising agreement with experimental observations. The capability to assess the influence of different thermodynamic conditions on the two-phase flow nature was established by predicting non-flashing and flashing phenomena.

The application of hydrogen (H2) as an internal combustion (IC) engine fuel has been under investigation for several decades. The favorable physical properties of hydrogen make it an excellent alternative fuel for fuel cells as well as IC engines and hence it is widely regarded as the energy carrier of the future. The potential of hydrogen as an IC engine fuel can be optimized by direct injection (DI) as it provides multiple degrees of freedom to influence the in-cylinder combustion processes and consequently the engine efficiency and exhaust emissions. This paper studies a single-hole nozzle and examines the effects of injection strategy on engine efficiency, combustion behavior and NOx emissions. The experiments for this study are done on a 0.5 liter single-cylinder research engine which is specifically designed for combustion studies and equipped with a cylinder head that allows side as well as central injector location.

This paper evaluates the potential of adding higher alcohols to gasoline blendstock in an attempt to improve overall fuel performance. The alcohols considered include ethanol, normal- and iso-structures of propanol, butanol and pentanol as well as normal-hexanol (C2-C6). Fuel performance is quantified based on energy content, knock resistance as well as petroleum displacement and promising multi-component blends are systematically identified based on property prediction methods. These promising multi-component blends, as well as their respective reference fuels, are subsequently tested for efficiency and emissions performance utilizing a gasoline direct injection, spark ignition engine. The engine test results confirm that combustion and efficiency of tailored multi-component blends closely match those of the reference fuels. Regulated emissions stemming from combustion of these blends are equal or lower compared to the reference fuels across the tested engine speed and load regime.

Interest in natural gas as a fuel for light-duty transportation has increased due to its domestic availability and lower cost relative to gasoline. Natural gas, comprised mainly of methane, has a higher knock resistance than gasoline making it advantageous for high load operation. However, the lower flame speeds of natural gas can cause ignitability issues at part-load operation leading to an increase in the initial flame development process. While port-fuel injection of natural gas can lead to a loss in power density due to the displacement of intake air, injecting natural gas directly into the cylinder can reduce such losses. A study was designed and performed to evaluate the potential of natural gas for use as a light-duty fuel. Steady-state baseline tests were performed on a single-cylinder research engine equipped for port-fuel injection of gasoline and natural gas, as well as centrally mounted direct injection of natural gas.

The favorable physical properties of hydrogen (H2) make it an excellent alternative fuel for internal combustion (IC) engines and hence it is widely regarded as the energy carrier of the future. Hydrogen direct injection provides multiple degrees of freedom for engine optimization and influencing the in-cylinder combustion processes. This paper compares the results in the mixture formation and combustion behavior of a hydrogen direct-injected single-cylinder research engine using two different injector locations as well as various injector nozzle designs. For this study the research engine was equipped with a specially designed cylinder head that allows accommodating a hydrogen injector in a side location between the intake valves as well as in the center location adjacent to the spark plug.

Nowadays Spark Ignition (SI) engine developments focus on downsizing, in order to increase the engine load level and consequently its efficiency. As a side effect, knock occurrence is strongly increased. The current strategy to avoid knock is to reduce the spark advance which limits the potential of downsizing in terms of consumption reduction. Reducing the engine propensity to knock is therefore a first order subject for car manufacturers. Engineers need competitive tools to tackle such a complex phenomenon. In this paper the 3D RANS simulations ability to satisfactorily represent knock tendencies is demonstrated. ECFM (Extended Coherent Flame Model) has been recently implemented by IFPEN in CONVERGE and coupled with TKI (Tabulated Kinetics Ignition) to represent Auto-Ignition in SI engine. These models have been applied on a single cylinder engine configuration dedicated to abnormal combustion study.

The current trend of downsizing used in gasoline engines, while reducing fuel consumption and CO2 emissions, imposes severe thermal loads inside the combustion chamber. These critical thermodynamic conditions lead to the possible auto-ignition (AI) of fresh gases hot-spots around Top-Dead-Center (TDC). At this very moment where the surface to volume ratio is high, wall heat transfer influences the temperature field inside the combustion chamber. The use of a realistic wall temperature distribution becomes important in the case of a downsized engine where fresh gases hot spots found near high temperature walls can initiate auto-ignition. This paper presents a comprehensive numerical methodology for an accurately prediction of thermodynamic conditions inside the combustion chamber based on Conjugate Heat Transfer (CHT).

It is beneficial but challenging to operate spark-ignition engines under highly lean and dilute conditions. The unstable ignition behavior can result in downgraded combustion performance in engine cylinders. Numerical approach is serving as a promising tool to identify the ignition requirements by providing insight into the complex physical/chemical phenomena. An effort to simulate the early stage of flame kernel initiation in lean and dilute fuel/air mixture has been made and discussed in this paper. The simulations are set to validate against laboratory results of spark ignition behavior in a constant volume combustion vessel. In order to present a practical as well as comprehensive ignition model, the simulations are performed by taking into consideration the discharge circuit analysis, the detailed reaction mechanism, and local heat transfer between the flame kernel and spark plug.

The 3-Zones Extended Coherent Flame Model (ECFM3Z) and the Tabulated Kinetics for Ignition (TKI) auto-ignition model are widely used for RANS simulations of reactive flows in Diesel engines. ECFM3Z accounts for the turbulent mixing between one zone that contains compressed air and EGR and another zone that contains evaporated fuel. These zones mix to form a reactive zone where combustion occurs. In this mixing zone TKI is applied to predict the auto-ignition event, including the ignition delay time and the heat release rate. Because it is tabulated, TKI can model complex fuels over a wide range of engine thermodynamic conditions. However, the ECFM3Z/TKI combustion modeling approach requires an efficient predictive spray injection calculation. In a Diesel direct injection engine, the turbulent mixing and spray atomization are mainly driven by the liquid/gas coupling phenomenon that occurs at moving liquid/gas interfaces.

Reynolds-averaged Navier-Stokes (RANS) modeling is expected to deliver an ensemble-averaged result for the majority of turbulent flows. This could lead to the conclusion that multi-cycle internal combustion engine (ICE) simulations performed using RANS must exhibit a converging numerical solution after a certain number of consecutive cycles. However, for some engine configurations unsteady RANS simulations are not guaranteed to deliver an ensemble-averaged result. In this paper it is shown that, when using RANS modeling to simulate multiple engine cycles, the cycle-to-cycle variations (CCV) generated from different initial conditions at each cycle are not damped out even after a large number of cycles. A single-cylinder GDI research engine is simulated using RANS modeling and the numerical results for 20 consecutive engine cycles are evaluated for two specific operating conditions.

An extensive numerical study of two-phase flow inside the nozzle holes and the issuing jets for a multi-hole direct injection gasoline injector is presented. The injector geometry is representative of the Spray G nozzle, an eight-hole counter-bored injector, from the Engine Combustion Network (ECN). Homogeneous Relaxation Model (HRM) coupled with the mixture multiphase approach in the Eulerian framework has been utilized to capture the phase change phenomena inside the nozzle holes. Our previous studies have demonstrated that this approach is capable of capturing the effect of injection transients and thermodynamic conditions in the combustion chamber, by predicting phenomenon such as flash boiling. However, these simulations were expensive, especially if there is significant interest in predicting the spray behavior as well.

A numerical study has been carried out to assess the effects of needle movement and internal nozzle flow on spray formation for a multi-hole Gasoline Direct Injection system. The coupling of nozzle flow and spray formation is dynamic in nature and simulations with pragmatic choice of spatial and temporal resolutions are needed to analyze the sprays in a GDI system. The dynamic coupling of nozzle flow and spray formation will be performed using an Eulerian-Lagrangian Spray Atomization (ELSA) approach. In this approach, the liquid fuel will remain in the Eulerian framework while exiting the nozzle, while, depending on local instantaneous liquid concentration in a given cell and amount of liquid in the neighboring cells, part of the liquid mass will be transferred to the Lagrangian framework in the form of Lagrangian parcels.

A set of reduced chemical mechanisms was developed for use in multi-dimensional engine simulations of premixed gasoline combustion. The detailed Primary Reference Fuel (PRF) mechanism (1034 species, 4236 reactions) from Lawrence Livermore National Laboratory (LLNL) was employed as the starting mechanism. The detailed mechanism, referred to here as LLNL-PRF, was reduced using a technique known as Parallel Direct Relation Graph with Error Propagation and Sensitivity Analysis. This technique allows for efficient mechanism reduction by parallelizing the ignition delay calculations used in the reduction process. The reduction was performed for a temperature range of 800 to 1500 K and equivalence ratios of 0.5 to 1.5. The pressure range of interest was 0.75 bar to 40 bar, as dictated by the wide range in spark timing cylinder pressures for the various cases. In order to keep the mechanisms relatively small, two reductions were performed.

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.

A state-of-the-art spray modeling methodology, recently applied to RANS simulations, is presented for LES calculations. Key features of the methodology, such as Adaptive Mesh Refinement (AMR), advanced liquid-gas momentum coupling, and improved distribution of the liquid phase, are described. The ability of this approach to use cell sizes much smaller than the nozzle diameter is demonstrated. Grid convergence of key parameters is verified for non-evaporating and evaporating spray cases using cell sizes down to 1/32 mm. It is shown that for global quantities such as spray penetration, comparing a single LES simulation to experimental data is reasonable, however for local quantities the average of many simulated injections is necessary. Grid settings are recommended that optimize the accuracy/runtime tradeoff for LES-based spray simulations.

Higher carbon number alcohols offer an opportunity to meet the Renewable Fuel Standard (RFS2) and improve the energy content, petroleum displacement, and/or knock resistance of gasoline-alcohol blends from traditional ethanol blends such as E10 while maintaining desired and regulated fuel properties. Part II of this paper builds upon the alcohol selection, fuel implementation scenarios, criteria target values, and property prediction methodologies detailed in Part I. For each scenario, optimization schemes include maximizing energy content, knock resistance, or petroleum displacement. Optimum blend composition is very sensitive to energy content, knock resistance, vapor pressure, and oxygen content criteria target values. Iso-propanol is favored in both scenarios' suitable blends because of its high RON value.