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In order to understand supercritical jet flows further, well resolved large eddy simulations (LES) of a n-dodecane jet mixing with surrounding nitrogen are conducted. A real fluid thermodynamic model is used to account for the fuel compressibility and variable thermophysical properties due to the solubility of ambient gas and liquid jet using the cubic Peng-Robinson equation of state (PR-EOS). A molar averaged homogeneous mixing rule is used to calculate the mixing properties. The thermodynamic model is coupled with a pressure-based solver to simulate multispecies reacting flows. The numerical model is based on a second order accurate method implemented in the open source OpenFOAM-6 software. First, to evaluate the present numerical model for sprays, 1D advection and shock tube benchmark problems at supercritical conditions are shown.

The focus of this study is to aid the development of the isobaric combustion engine by investigating multiple injection strategies at moderately high pressures. A three-dimensional (3D) commercial computational fluid dynamics (CFD) code, CONVERGE, was used to conduct simulations. The validation of the isobaric combustion case was carried out through the use of a single injector with multiple injections. The computational simulations were matched to the experimental data using methods outlined in this paper for different multiple injection cases. A sensitivity analysis to understand the effects of different modeling components on the quantitative prediction was carried out. First, the effects of the kinetic mechanisms were assessed by employing different chemical mechanisms, and the results showed no significant difference in the conditions under consideration.

Towards a fundamental understanding of the ignition characteristics of pre-chamber (PC) combustion engines, computational fluid dynamics (CFD) simulations were conducted using CONVERGE. To assist the initial design of the KAUST pre-chamber engine experiments, the primary focus of the present study was to assess the impact of design parameters such as throat diameter, nozzle diameter, and nozzle length. The well-stirred reactor combustion model coupled with a methane oxidation mechanism reduced from GRI 3.0 was used. A homogeneous charge of methane and air with λ = 1.3 on both the PC and main chamber (MC) was assumed. The geometrical parameters were shown to affect the pre-chamber combustion characteristics, such as pressure build-up, radical formation, and heat release as well as the composition of the jets penetrating and igniting the main chamber charge. In addition, the backflow of species pushed inside the pre-chamber due to the flow reversal (FR) event was analyzed.

Premixed low temperature combustion (LTC) in diesel engines simultaneously reduces soot and NOx at the expense of increased hydrocarbon (HC) and CO emissions. The use of biodiesel in the LTC regime has been shown to produce lower HC emissions than petroleum diesel; however, unburned methyl esters from biodiesel are more susceptible to particulate matter (PM) formation following atmospheric dilution due to their low volatility. In this study, the efficacy of a production-type diesel oxidation catalyst (DOC) for the conversion of light hydrocarbons species and heavier, semi-volatile species like those in unburned fuel is examined. Experimental data were taken from a high speed direct-injection diesel engine operating in a mid-load, late injection partially premixed LTC mode on ultra-low sulfur diesel (ULSD) and neat soy-based biodiesel (B100). Gaseous emissions were recorded using a conventional suite of analyzers and individual light HCs were measured using an FT-IR analyzer.

A comprehensive methodology for predicting the transient thermal response of spark-ignition engines subject to time-varying boundary conditions is presented. The approach is based on coupling a cycle-resolved quasi-dimensional simulation of in-cylinder thermodynamic events with a resistor-capacitor (R-C) thermal network of the various component and fluid interactions throughout the engine and exhaust system. The dynamic time step of the thermal solution is limited by either the frequency of the prescribed time-dependent boundary conditions or by the minimum thermal time constant of the R-C network. To demonstrate the need for fully-coupled, transient thermodynamic and heat transfer solutions, model behavior is first explored for step-change and staircase variations of engine operating conditions.

Meeting diesel engine emission standards for heavy-duty vehicles can be achieved by simultaneous injection of fuel and water. An injection system for instantaneous mixing of fuel and water in the combustion chamber has been developed by injecting water in a mixing passage located in the periphery of the fuel spray. The fuel spray is then entrained by water and hot air before it burns. The experimental work was carried out on a Rapid Compression Machine and on a Komatsu direct-injection heavy-duty diesel engine with a high pressure common rail fuel injection system. It was also supported by Computational Fluid Dynamics simulations of the injection and combustion processes in order to evaluate the effect of water vapor distribution on cylinder temperature and NOX formation. It has been concluded that when the water injection is appropriately timed, the combustion speed is slower and the cylinder temperature lower than in conventional diesel combustion.

A numerical study has been conducted to investigate possible extension of the low load limit of the HCCI operating range by charge stratification using direct injection. A wide range of SOI timings at a low load HCCI engine operating condition were numerically examined to investigate the effect of DI. A multidimensional CFD code KIVA3v with a turbulent combustion model based on a modified flamelet approach was used for the numerical study. The CFD code was validated against experimental data by comparing pressure traces at different SOI’s. A parametric study on the effect of SOI on combustion has been carried out using the validated code. Two parameters, the combustion efficiency and CO emissions, were chosen to examine the effect of SOI on combustion, which showed good agreement between numerical results and experiments. Analysis of the in-cylinder flow field was carried out to identify the source of CO emissions at various SOI’s.

A PC-based, computationally-efficient, quasi-dimensional simulation of HCCI engine performance and emissions has been developed with the intent to bridge the gap between zero-dimensional and sequential fluid-mechanic - thermo-kinetic models. The model couples a detailed chemistry description, a core gas model, a predictive boundary layer model, and a ring-dynamics crevice flow model. The thermal boundary layer, which is axially discretized to account for the relative piston motion, is modeled using compressible energy arguments. The ring-pack crevice zone is modeled using a coupled ring dynamic and flow model. The physically-based mathematical model is solved within the context of a single simulation framework, which lends to flexibility and expediency in performing a range of parametric studies. The simulation was validated under turbo-charged conditions using data obtained from a Caterpillar 3500 test engine.

Conventional spark plugs ignite a fuel-air mixture via an electric-to-plasma energy transfer; the effectiveness of which can be described by an electric-to-plasma energy efficiency. Although conventional spark plug electric-to-plasma efficiencies have historically been viewed as adequate, it might be wondered how an increase in such an efficiency might translate (if at all) to improvements in the flame initiation period and eventual engine performance of a spark-ignition engine. A modification can be made to the spark plug that places a peaking capacitor in the path of the electrical current; upon coil energizing, the stored energy in the peaking capacitor substantially increases the energy delivered by the spark. A previous study has observed an improvement in the electric-to-plasma energy efficiency to around 50%, whereas the same study observed conventional spark plug electric-to-plasma energy efficiency to remain around 1%.

In the wake of global focus shifting towards the health and conservation of the planet, greater importance is placed upon the hazardous emissions of our fossil fuels, as well as their finite supply. These two areas remain intense topics of research in order to reduce greenhouse gas emissions and increase the fuel efficiency of vehicles, a sector which is a major contributor to society's global CO₂ emissions and consumer of fossil-fuel resources. A particular solution to this problem is the diesel engine, with its inherently fuel-lean combustion, which gives rise to low CO₂ production and higher efficiencies than other potential powertrain solutions. Diesel engines, however, typically exhibit higher nitrogen oxides (NOx) and soot engine-out emissions than their gasoline counterparts. NOx is an ingredient to ground-level ozone production and smoke is a possible carcinogen, both of which are facing stricter emissions regulations.

Numerical simulations were conducted to systematically assess the effects of different spray models on the ignition delay predictions and compared with experimental measurements obtained at the KAUST ignition quality tester (IQT) facility. The influence of physical properties and chemical kinetics over the ignition delay time is also investigated. The IQT experiments provided the pressure traces as the main observables, which are not sufficient to obtain a detailed understanding of physical (breakup, evaporation) and chemical (reactivity) processes associated with auto-ignition. A three-dimensional computational fluid dynamics (CFD) code, CONVERGE™, was used to capture the detailed fluid/spray dynamics and chemical characteristics within the IQT configuration. The Reynolds-averaged Navier-Stokes (RANS) turbulence with multi-zone chemistry sub-models was adopted with a reduced chemical kinetic mechanism for n-heptane and iso-octane.

Selective Catalytic Reduction (SCR) catalysts used in Lean NOx Trap (LNT) - SCR exhaust aftertreatment systems typically encounter alternating oxidizing and reducing environments. Reducing conditions occur when diesel fuel is injected upstream of a reformer catalyst, generating high concentrations of hydrogen (H₂), carbon monoxide (CO), and hydrocarbons to deNOx the LNT. In this study, the functionality of an iron (Fe) zeolite SCR catalyst is explored with a bench top reactor during steady-state and cyclic transient SCR operation. Experiments to characterize the effect of an LNT deNOx event on SCR operation show that adding H₂ or CO only slightly changes SCR behavior with the primary contribution being an enhancement of nitrogen dioxide (NO₂) decomposition into nitric oxide (NO). Exposure of the catalyst to C₃H₆ (a surrogate for an actual exhaust HC mixture) leads to a significant decrease in NOx reduction capabilities of the catalyst.

Degreening is crucial in obtaining a stable catalyst prior to assessing its performance characteristics. This paper characterizes the light-off behavior and conversion efficiency of a Diesel Oxidation Catalyst (DOC) during the degreening process. A platinum DOC is degreened for 16 hours in the presence of actual diesel engine exhaust at 650°C and 10% water (H2O) concentration. The DOC's activity for carbon monoxide (CO) and for total hydrocarbons (THC) conversion is checked at 0, 1, 2, 3, 4, 6, 8, 10, 12, and 16 hours of degreening. Pre-and post-catalyst hydrocarbon species are analyzed via gas chromatography at 0, 4, 8, and 16 hours of degreening. It is found that both light-off temperature and species-resolved conversion efficiencies change rapidly during the first 8 hours of degreening and then stabilize to a large degree. T50, the temperature where the catalyst is 50% active towards a particular species, increases by 14°C for CO and by 11°C for THC through the degreening process.

Premixed compression ignition low-temperature diesel combustion (PCI) can simultaneously reduce particulate matter (PM) and oxides of nitrogen (NOx). Carbon monoxide (CO) and total hydrocarbon (THC) emissions increase relative to conventional diesel combustion, however, which may necessitate the use of a diesel oxidation catalyst (DOC). For a better understanding of conventional and PCI combustion, and the operation of a platinum-based production DOC, engine-out and DOC-out exhaust hydrocarbons are speciated using gas chromatography. As combustion mode is changed from lean conventional to lean PCI to rich PCI, engine-out CO and THC emissions increase significantly. The relative contributions of individual species also change; increasing methane/THC, acetylene/THC and CO/THC ratios indicate a richer combustion zone and a reduction in engine-out hydrocarbon incremental reactivity.

Modern diesel engines operate under injection pressures varying from 30 to 200 MPa and employ combinations of very early and conventional injection timings to achieve partially homogeneous mixtures. The variety of injection and cylinder pressures results in droplet atomization under a wide range of Weber numbers. The high injection velocities lead to fast jet disintegration and secondary droplet atomization under shear and catastrophic breakup mechanisms. The primary atomization of the liquid jet is modeled considering the effects of both infinitesimal wave growth on the jet surface and jet turbulence. Modeling of the secondary atomization is based on a combination of a drop fragmentation analysis and a boundary layer stripping mechanism of the resulting fragments for high Weber numbers. The drop fragmentation process is predicted from instability considerations on the surface of the liquid drop.

Five small two-stroke engine designs were tested at different air/fuel ratios, under steady state and transient cycles. The effects of combustion chamber design, carburetor design, lean burning, and fuel composition on performance, hydrocarbon and carbon monoxide emissions were studied. All tested engines had been designed to run richer than stoichiometric in order to obtain satisfactory cooling and higher power. While hydrocarbon and carbon monoxide emissions could be greatly reduced with lean burning, engine durability would be worsened. However, it was shown that the use of a catalytic converter with acceptably lean combustion was an effective method of reducing emissions. Replacing carburetion with in-cylinder fuel injection in one of the engines resulted in a significant reduction of hydrocarbon and carbon monoxide emissions.

To elucidate the complex characteristics of pre-chamber combustion engines, the interaction of the hot gas jets initiated by an active narrow throated pre-chamber with lean premixed CH4/air in a heavy-duty engine was studied computationally. A twelve-hole KAUST proprietary pre-chamber geometry was investigated using CONVERGE software. The KAUST pre-chamber has an upper conical part with the spark plug, and fuel injector, followed by a straight narrow region called the throat and nozzles connecting the chambers. The simulations were run for an entire cycle, starting at the previous cycle's exhaust valve opening (EVO). The SAGE combustion model was used with the chemistry modeled using a reduced methane oxidation mechanism based on GRI Mech 3.0, which was validated against in-house OH chemiluminescence data from the optical engine experiments.

The pre-chamber combustion can extend the lean limit of internal combustion engines (ICE) and hence increase their overall efficiency. Compared to active pre-chambers equipped with an auxiliary fuel supply system, passive pre-chambers have lower manufacturing costs and require minimal or no design modifications to the conventional spark plug engines. The major challenge of the passive pre-chamber is to extend the lean limit as much as the active pre-chamber. Computational fluid dynamics (CFD) simulations were conducted on a light-duty single-cylinder engine geometry fitted with a passive pre-chamber and using iso-octane as fuel to investigate and optimize the passive pre-chamber fuel enrichment through the pre-chamber nozzles. The non-reacting flow simulations were performed from the intake valve open (IVO) to spark timing.

The Wankel rotary engine has been an attractive alternative for transportation due to its unique features of lightweight construction, small size, high power density, and adaptability to various fuels. This paper aims to investigate the performance of air-fuel mixing in a hydrogen-fuelled Wankel rotary engine using different fuelling strategies. To achieve this, 3D computational fluid dynamics (CFD) simulations were conducted using CONVERGE software on a prototype engine with a displacement of 225 cc, manufactured by Advanced Innovative Engineering UK. Initially, the simulations were validated by comparing the results with experimental data obtained from the engine fuelled with conventional gasoline under both motored and fired conditions. After validating the model, simulations were conducted on the premixed hydrogen engine combustion, followed by more detailed simulations of port fuel injection (PFI) and direct injection (DI) of hydrogen in the engine.

Hydrogen is anticipated to play a pivotal role as a green energy carrier in both heavy industry and transportation. Utilizing hydrogen directly in internal combustion engines (ICE) could offer several advantages compared to alternative technologies. To achieve this objective, a proper understanding of the physical mechanisms and dynamics involved in the injection of this fuel is needed. This study applied high-fidelity computational fluid dynamics (CFD) simulations to describe the flow characteristics of hydrogen injection using hollow- and single- and multi-solid-cone injectors and their effect on mixing quality and characteristics in a constant volume quiescent environment. A reference hollow-cone configuration was used to validate the model. The results indicate that solid-cone configurations achieve greater penetration due to the flow patterns they generate. However, an increase in the number of holes leads to reduced penetration length, projected area, and induced turbulence.