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There is a growing interest in ammonia as a potential carbon-free fuel due to the current trend of decarbonization in ground transportation. Benefits of ammonia as a fuel include its high volumetric energy density, ease of storage and transportation, and mature manufacturing infrastructure. On the other hand, ammonia suffers from a low flame speed, long ignition delay times and NOx formation. In this work, a computational investigation of ammonia and hydrogen blends in a 0-D homogeneous charge compression ignition reactor is conducted using different blends under a range of engine-relevant conditions. Iso-contours of the crank angle corresponding to 50% of total heat release (CA50) are developed to assess the reactivity of the different blends under different engine speeds and equivalence ratios. The results show that ammonia requires a high inlet temperature to achieve a CA50 close to top dead center (TDC).

A CAE-based optimization method is developed for Lube Oil Consumption (LOC) analysis of the piston-ring system. With accurate thermodynamic boundary conditions from 1D engine combustion simulation, piston motion, dynamics of piston ring, and characteristics of oil consumption are simulated using AVL Piston&Ring. The model is validated by comparing with available test data. Good match is achieved. The model is then applied to a diesel engine. The root cause of excessive LOC of the engine has been identified through CAE. The improved understanding has been applied to optimize the piston and piston ring. Engine dyno test, 1200-hour engine durability test, and 45000-kilometer vehicle test have been conducted to validate the optimized design. The experiment results are in good agreement with CAE predictions, and the oil consumption has been improved over the original design.

Experimental studies of soot particles showed that the intensity ratio of amorphous and graphite layers measured by Raman spectroscopy correlates to soot oxidation reactivities, which is very important for regeneration of the diesel particulate filters and gasoline particulate filters. This physical mechanism is absent in all soot models. In the present paper, a novel two-layer soot model was proposed that considers the amorphous and graphite layers in the soot particles. The soot model considers soot inception, soot surface growth, soot oxidation by O2 and OH, and soot coagulation. It is assumed that amorphous-type soot forms from fullerene. No soot coagulation is considered in the model between the amorphous- and graphitic-types of soot. Benzene is taken as the soot precursor, which is formed from acetylene. The model was implemented into a commercial CFD software CONVERGE using user defined functions. A diesel engine case was simulated.

Machine learning methods, such as decision trees and deep neural networks, are becoming increasingly important and useful for data analysis in various scientific fields including dynamics and control, signal processing, pattern recognition, fluid mechanics, and chemical synthesis, etc. For future engine design and performance optimization, there is an urgent need for a robust predictive model which could capture the major combustion properties such as autoignition and flame propagation of multicomponent fuels under a wide range of engine operating conditions, without massive experimental measurement or computational efforts. It will be shown that these long-held limitations and challenges related to complex fuel combustion and engine research could be readily solved by implementing machine learning methods.

The application of Computational Fluid Dynamics (CFD) for three-dimensional (3D) combustion analysis coupled with detailed chemistry in engine development is hindered by its expensive computational cost. Chemistry computation may occupy as much as 90% of the total computational cost. In the present paper, a new two-step iso-octane combustion model was developed for spark-ignited (SI) engine to maximize computational efficiency while maintaining acceptable accuracy. Starting from the model constants of an existing global combustion model, the new model was developed using an approach based on sensitivity analysis to approximate the results of a reference skeletal mechanism. The present model involves only five species and two reactions and utilizes only one uniform set of model constants. The validation of the new model was performed using shock tube and real SI engine cases.

Flame speed data reported in most literature are acquired in conventional apparatus such as the spherical combustion bomb and counterflow burner, and are limited to atmospheric pressure and ambient or slightly elevated unburnt temperatures. As such, these data bear little relevance to internal combustion engines and gas turbines, which operate under typical pressures of 10-50 bar and unburnt temperature up to 900K or higher. These elevated temperatures and pressures not only modify dominant flame chemistry, but more importantly, they inevitably facilitate pre-ignition reactions and hence can change the upstream thermodynamic and chemical conditions of a regular hot flame leading to modified flame properties. This study focuses on how auto-ignition chemistry affects flame propagation, especially in the negative-temperature coefficient (NTC) regime, where dimethyl ether (DME), n-heptane and iso-octane are chosen for study as typical fuels exhibiting low temperature chemistry (LTC).

Spark plug design is critical for the performance of spark ignited (SI) engines, however, its orientation is frequently not controlled for most of production engines, which has great impacts on ignition and subsequent flame propagation processes. In the present work, a recently developed comprehensive ignition system model--the VTF ignition model, has been employed to investigate the effects of spark plug orientation on ignition and flame kernel growth. Three orientations for the spark plug, including downstream, crossflow, and upstream relative to the flow, have been considered under a typical a high-speed high-load condition in a GDI engine. Electrical circuitry model was validated by comparing the simulation results with measured secondary current and secondary voltage with good agreement.

Pressure ringing phenomena in internal combustion engine are often observed in cylinder pressure measurement, which may be due to combustion dynamics, pressure oscillation inside the combustion chamber and/or inside a drilled probe hole for cylinder pressure sensor installation. In the present study, combustion process in a production DI diesel engine instrumented with pressure sensors in the cylinder head was analyzed using 3D combustion CFD simulation. Three combustion models (the CTC model with the Shell autoignition model, the Sage model with detailed chemistry, and the ECFM-3Z model) and three reaction mechanisms (the Shell autoignition model, the Chalmers reduced n-heptane mechanism, and the IFP PRF mechanism) were employed to validate their capability in capturing pressure ringing phenomena. Grid size within the drilled hole and speed of sound CFL number were varied to evaluate the effects on pressure ringing prediction.

The thermal efficiency of spark-ignition engines can be enhanced by increasing the rate of exhaust gas recirculation (EGR) such that the low temperature combustion regime could be achieved. However, there is an upper limit on the amount of EGR rate, beyond which flame speed becomes slow and unstable, and local quenching starts to hurt the combustion stability, efficiency, and emission. To resolve this issue, the concept of dedicated EGR has been proposed previously to be an effective way to enhance flame propagation under lean burn condition with even higher levels of EGR with reformate hydrogen and carbon monoxide. In this study, the effects of thermochemical fuel reforming on the reformate composition under rich conditions (1.0 < ϕ < 2.0) have been studied using detailed chemistry for iso-octane, as the representative component for gasoline.

Diesel combustion and emissions formation is spray and mixing controlled and understanding spray parameters is key to determining the impact of fuel injector operation and nozzle design on combustion and emissions. In this study, both spray visualization and computational fluid dynamics (CFD) modeling were undertaken to investigate key mechanisms for liquid length fluctuations. For the experimental portion of this study a common rail piezoelectric injector was tested in an optically accessible constant volume combustion vessel. Liquid penetration of the spray was determined via processing of images acquired from Mie back scattering under vaporizing conditions by injecting into a charge gas at elevated temperature with a 0% oxygen environment. Tests were undertaken at a gas density of 34.8 kg/m₃, 2000 bar injection pressure, and at ambient temperatures of 900, 1100, and 1300 K.

Diesel combustion and emissions formation is largely spray and mixing controlled and hence understanding spray parameters, specifically vaporization, is key to determine the impact of fuel injector operation and nozzle design on combustion and emissions. In this study, an eight-hole common rail piezoelectric injector was tested in an optically accessible constant volume combustion vessel at charge gas conditions typical of full load boosted engine operation. Liquid penetration of the eight sprays was determined via processing of images acquired from Mie back scattering under vaporizing conditions by injecting into a charge gas at elevated temperature with 0% oxygen. Conditions investigated included a charge temperature sweep of 800 to 1300 K and injection pressure sweep of 1034 to 2000 bar at a constant charge density of 34.8 kg/m₃.

The present work proposes a methodology for diesel engine development using scaling laws and computational optimization with multi-dimensional CFD tools. A previously optimized 450cc HSDI diesel engine was down-scaled to 400cc size using recently developed scaling laws. The scaling laws were validated by comparing the performance of these two engines, including pressure, HRR, peak and averaged temperature, and pollutant emissions. A novel optimization methodology, which is able to simultaneously optimize multiple operating conditions, was proposed. The method is based on multi-objective genetic algorithms, and was coupled with the KIVA3V Release 2 code to further optimize the down-scaled diesel engine. An adaptive multi-grid chemistry model was used in the KIVA3V code to reduce the computational cost of the optimization. The computations were conducted using high-throughput computing with the CONDOR system.

Resolution of droplet-scale processes occurring within engine sprays in multi-dimensional Computational Fluid Dynamics (CFD) simulations is not possible because impractically refined numerical meshes or time steps would be required. As a result, simulations that use coarse meshes and large time steps suffer from inaccurate predictions of mass, momentum and energy transfer between the spray drops and the combustion chamber gas, or poor prediction of droplet breakup and collision and coalescence processes. Several new spray models have been proposed to address these deficiencies, including use of an unsteady gas jet model to improve momentum transfer predictions in under-resolved regions of the spray, a vapor particle model to minimize numerical diffusion effects, and a Radius of Influence drop collision model to ensure consistent collision computations on different meshes.

The present work proposes a methodology for diesel engine development using multi-dimensional CFD and computer optimization. A multi-objective genetic algorithm coupled with the KIVA3V Release 2 code was used to optimize a high speed direct injection (HSDI) diesel engine for passenger car applications. The simulations were conducted using high-throughput computing with the CONDOR system. An automated grid generator was used for efficient mesh generation with 11 variable piston bowl geometry parameters. The first step in the procedure was to search for an optimal nozzle and piston bowl design. In this case, spray targeting, swirl ratio, and piston bowl shape were optimized separately for two full-load cases using simpler efficient combustion models (the characteristic time scale model and the shell ignition model). The optimal designs from the two optimizations were then validated using a combustion model with detailed chemistry (KIVA-CHEMKIN model and ERC n-heptane mechanism).

Detailed knowledge of hydrocarbon fuel combustion chemistry has grown tremendously in recent years. However, the gap between detailed chemistry and computational fluid dynamics (CFD) remains, because of the high cost of solving detailed chemistry in a large number of computational cells. This paper presents the results of applying a suite of techniques aimed at closing this gap. The techniques include use of a surrogate blend optimizer and a guided mechanism reduction methodology, as well as advanced methods for efficiently and accurately coupling the pre-reduced kinetic models with the multidimensional transport equations. The advanced methods include dynamic adaptive chemistry (DAC) and dynamic cell clustering (DCC) algorithms.

A multi-objective genetic algorithm coupled with the KIVA3V release 2 code was used to optimize the piston bowl geometry, spray targeting, and swirl ratio levels of a high speed direct injected (HSDI) diesel engine for passenger cars. Three modes, which represent full-, mid-, and low-loads, were optimized separately. A non-dominated sorting genetic algorithm II (NSGA II) was used for the optimization. High throughput computing was conducted using the CONDOR software. An automated grid generator was used for efficient mesh generation with variable geometry parameters, including open and reentrant bowl designs. A series of new spray models featuring reduced mesh dependency were also integrated into the code. A characteristic-time combustion (CTC) model was used for the initial optimization for time savings. Model validation was performed by comparison with experiments for the baseline engine at full-, mid-, and low-load operating conditions.

This paper presents three approaches that can be used for efficient multidimensional simulations of HCCI and DI engine combustion. The first approach uses a newly developed Adaptive Multi-grid Chemistry (AMC) model. The AMC model allows a fine mesh to be used to provide adequate resolution for the spray simulation, while dramatically reducing the number of cells that need to be computed by the chemistry solver. The model has been implemented into the KIVA3v2-CHEMKIN code and it was found that computer time was reduced by a factor of ten for HCCI cases and a factor of three to four for DI cases without losing prediction accuracy. The simulation results were compared with experimental data obtained from a Honda engine operated with n-heptane under HCCI conditions for which directly measured in-cylinder temperature and H2O mole fraction data are available.

Two advanced combustion models have been validated with the KIVA-3V Release 2 code in the context of two-stage combustion in a heavy duty diesel engine. The first model uses CHEMKIN to directly integrate chemistry in each computational cell. The second model accounts for flame propagation with the G-equation, and CHEMKIN predicts autoignition and handles chemistry ahead of and behind the flame front. A Damköhler number criterion was used in flame containing cells to characterize the local mixing status and determine whether heat release and species change should be a result of flame propagation or volumetric heat release. The purpose of this criterion is to make use of physical and chemical time scales to determine the most appropriate chemistry model, depending on the mixture composition and thermodynamic properties of the gas in each computational cell.

A multi-objective genetic algorithm methodology was applied to a heavy-duty diesel engine at three different operating conditions of interest. Separate optimizations were performed over various fuel injection nozzle parameters, piston bowl geometries and swirl ratios (SR). Different beginning of injection (BOI) timings were considered in all optimizations. The objective of the optimizations was to find the best possible fuel economy, NOx, and soot emissions tradeoffs. The input parameter ranges were determined using design of experiment methodology. A non-dominated sorting genetic algorithm II (NSGA II) was used for the optimization. For the optimization of piston bowl geometry, an automated grid generator was used for efficient mesh generation with variable geometry parameters. The KIVA3V release 2 code with improved ERC sub-models was used. The characteristic time combustion (CTC) model was employed to improve computational efficiency.

In the present work the three-dimensional KIVA CFD code was used to simulate the combustion process in a HSDI diesel engine. State-of-the-art models, including the KH-RT spray breakup model, the RNG k-ε turbulence model, and a n-heptane reduced chemistry including reduced GRI NOx mechanism were used. The performances of two combustion models, KIVA-CHEMKIN and GAMUT (KIVA-CHEMKIN-G), coupled with 2-step and multi-step phenomenological soot models were compared. The numerical results were compared with available experimental data obtained from an optically accessible HSDI engine and good agreement was obtained. To assess the effects of the in-cylinder flow field on combustion and emissions, off-centered swirl flows were also considered. In these studies, the swirl center was initialized at different positions in the chamber for different cases to simulate the effects of different intake flow arrangements.