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Boosted Homogeneous Charge Compression Ignition (HCCI) has been modeled and has demonstrated the potential to extend the engine's upper load limit. A commercially available engine simulation software (GT-PowerÖ) coupled to the University of Michigan HCCI combustion and heat transfer correlations was used to model a 4-cylinder boosted HCCI engine with three different boosting configurations: turbocharging, supercharging and series turbocharging. The scope of this study is to identify the best boosting approach in order to extend the HCCI engine's operating range. The results of this study are consistent with the literature: Boosting helps increase the HCCI upper load limit, but matching of turbochargers is a problem. In addition, the low exhaust gas enthalpy resulting from HCCI combustion leads to high pressures in the exhaust manifold increasing pumping work. The series turbocharging strategy appears to provide the largest load range extension.

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 utilization of H2 to catalytically treat NO emissions under lean-burn engine exhaust conditions was studied on Pt- and Pd-containing catalysts supported on CeO2 and MgO. The catalytic performance was examined using a fixed-bed reactor whose dry effluent gas stream was analyzed by an online FTIR analyzer. The catalysts NO conversion and N2 selectivity were measured in the range of 125-3000C with a feed gas composition of 0.05%NO/1%H2/10%O2/N2. The CeO2-based catalysts exhibited higher NO conversion, and the most effective catalyst was Pd/CeO2, with a conversion of 67% and selectivity of 70% near 2300C. The prepared solids were characterized using different techniques (BET, ICP-OES, CO pulse chemisorption, STEM, EELS and EDS) to correlate the structural and morphological properties of the metallic phase and the support with the catalytic activity. CeO2 is a more effective support as it yields higher metal dispersion and better facilitates the reduction of the Pt and Pd catalysts.

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.

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.

Adjusting the Residual Gas Fraction (RGF) by means of Variable Valve Actuation (VVA) is a strong candidate for controlling the ignition timing in Homogeneous Charge Compression Ignition (HCCI) engines. However, at high levels of residual gas fraction, insufficient mixing can lead to the presence of considerable temperature and composition variations. This paper extends previous modeling efforts to include the effect of RGF distribution on the onset of ignition and the rate of combustion using a multi-dimensional fluid mechanics code (KIVA-3V) sequentially with a multi-zone code with detailed chemical kinetics. KIVA-3V is used to simulate the gas exchange processes, while the multi-zone code computes the combustion event. It is shown that under certain conditions the effect of composition stratification is significant and cannot be captured by a single-zone model or a multi-zone model using only temperature zones.

In this paper, the available correlations proposed in the literature for the gas-side heat transfer in the intake and exhaust system of a spark-ignition internal combustion engine were surveyed. It was noticed that these only by empirically fitted constants. This similarity provided the impetus for the authors to explore if a universal correlation could be developed. Based on a scaling approach using microscales of turbulence, the authors have fixed the exponential factor on the Reynolds number and thus reduced the number of adjustable coefficients to just one; the latter can be determined from a least squares curve-fit of available experimental data. Using intake and exhaust side data, it was shown that the universal correlation The correlation coefficient of this proposed heat transfer model with all available experimental data is 0.845 for the intake side and 0.800 for the exhaust side.

The present study introduces a modeling approach for investigating the effects of valve events and gas exchange processes in the framework of a full-cycle HCCI engine simulation. A multi-dimensional fluid mechanics code, KIVA-3V, is used to simulate exhaust, intake and compression up to a transition point, before which chemical reactions become important. The results are then used to initialize the zones of a multi-zone, thermo-kinetic code, which computes the combustion event and part of the expansion. After the description and the validation of the model against experimental data, the application of the method is illustrated in the context of variable valve actuation. It has been shown that early exhaust valve closing, accompanied by late intake valve opening, has the potential to provide effective control of HCCI combustion.

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.

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.

A global, systems-level model which characterizes the thermal behavior of internal combustion engines is described in this paper. Based on resistor-capacitor thermal networks, either steady-state or transient thermal simulations can be performed. A two-zone, quasi-dimensional spark-ignition engine simulation is used to determine in-cylinder gas temperature and convection coefficients. Engine heat fluxes and component temperatures can subsequently be predicted from specification of general engine dimensions, materials, and operating conditions. Emphasis has been placed on minimizing the number of model inputs and keeping them as simple as possible to make the model practical and useful as an early design tool. The success of the global model depends on properly scaling the general engine inputs to accurately model engine heat flow paths across families of engine designs. The development and validation of suitable, scalable submodels is described in detail in this paper.

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.

An early-design methodology for predicting both expected fuel economy and catalyst-out CO, HC and NOx concentrations during arbitrarily-defined transient cycles is presented. The methodology is based on utilizing a vehicle-powertrain model with embedded maps of fully warmed up engine-out performance and emissions, and appropriate temperature-dependent correction factors to account for not fully warmed up conditions during transients. Similarly, engine-out emissions are converted to catalyst-out emissions using conversion efficiencies based on the catalyst brick temperature. A crucial element of the methodology is hence the ability to predict heat flows and component temperatures in the engine and the exhaust system during transients, consistent with the data available during concept definition and early design phases.

The emerging Variable Valve Timing (VVT) technology complicates the estimation of air flow rate because both intake and exhaust valve timings significantly affect engine's gas exchange and air flow rate. In this paper, we propose to use Artificial Neural Networks (ANN) to model the air flow rate through a 2.4 liter VVT engine with independent intake and exhaust camshaft phasers. The procedure for selecting the network architecture and size is combined with the appropriate training methodology to maximize accuracy and prevent overfitting. After completing the ANN training based on a large set of dynamometer test data, the multi-layer feedforward network demonstrates the ability to represent air flow rate accurately over a wide range of operating conditions. The ANN model is implemented in a vehicle with the same 2.4 L engine using a Rapid Prototype Controller.

Despite remarkable progress made over the past 30 years, automobiles continue to be a major source of hydrocarbon emissions. The objective of this study is to evaluate whether variable exhaust valve opening (EVO) and exhaust valve closing (EVC) can be used to reduce hydrocarbon emissions. An automotive gasoline engine was tested with different EVO and EVC timings under steady-state and start-up conditions. The first strategy that was evaluated uses early EVO with standard EVC. Although exhaust gas temperature is increased and catalyst light-off time is reduced, the rapid drop in cylinder temperature increases cylinder-out hydrocarbons to such a degree that a net increase in hydrocarbon emissions results. The second strategy that was evaluated uses early EVO with early EVC. Early EVO reduces catalyst light-off time by increasing exhaust gas temperature and early EVC keeps the hydrocarbon-rich exhaust gas from the piston crevice from leaving the cylinder.

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.