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Multi-dimensional computational efforts using comprehensive and skeletal kinetics have been made to investigate the cool flame region in HCCI combustion. The work was done in parallel to an experimental study that showed the impact of the negative temperature coefficient and the cool flame on the start of combustion using different fuels, which is now the focus of the simulation work. Experiments in a single cylinder CFR research engine with n-butane and a primary reference fuel with an octane number of 70 (PRF 70) were modeled. A comparison of the pressure and heat release traces of the experimental and computational results shows the difficulties in predicting the heat release in the cool flame region. The behavior of the driving radicals for two-stage ignition is studied and is compared to the behavior for a single-ignition from the literature. Model results show that PRF 70 exhibits more pronounced cool flame heat release than n-butane.

A detailed comparison of cylinder pressure derived combustion performance and engine-out emissions is made between an all-metal single-cylinder light-duty diesel engine and a geometrically equivalent engine designed for optical accessibility. The metal and optically accessible single-cylinder engines have the same nominal geometry, including cylinder head, piston bowl shape and valve cutouts, bore, stroke, valve lift profiles, and fuel injection system. The bulk gas thermodynamic state near TDC and load of the two engines are closely matched by adjusting the optical engine intake mass flow and composition, intake temperature, and fueling rate for a highly dilute, low temperature combustion (LTC) operating condition with an intake O2 concentration of 9%. Subsequent start of injection (SOI) sweeps compare the emissions trends of UHC, CO, NOx, and soot, as well as ignition delay and fuel consumption.

Deviations between transient and steady state operation of a modern light duty diesel engine were identified by comparing rapid load transitions to steady state tests at the same speeds and fueling rates. The validity of approximating transient performance by matching the transient charge air flow rate and intake manifold pressure at steady state was also assessed. Results indicate that for low load operation with low temperature combustion strategies, transient deviations of MAF and MAP from steady state values are small in magnitude or short in duration and have relatively little effect on transient engine performance. A new approximation accounting for variations in intake temperature and excess oxygen content of the EGR was more effective at capturing transient emissions trends, but significant differences in magnitudes remained in certain cases indicating that additional sources of variation between transient and steady state performance remain unaccounted for.

Multiple injection strategies have been revealed as an efficient means to reduce diesel engine NOx and soot emissions simultaneously, while maintaining or improving its thermal efficiency. Empirical soot models widely adopted in engine simulations have not been adequately validated to predict soot formation with multiple injections. In this work, a multiple-step phenomenological (MSP) soot model that includes particle inception, surface growth, oxidation, and particle coagulation was revised to better describe the physical processes of soot formation in diesel combustion. It was found that the revised MSP model successfully reproduces measured soot emission dependence on the start-of-injection timing, while the two-step empirical and the original MSP soot models were less accurate. The revised MSP model also predicted reasonable soot and intermediate species spatial profiles within the combustion chamber.

Accurate and useful mathematical models of physical processes can be made when we understand all of the phenomena involved. This paper reviews our understanding of the fluid flow, heat transfer and thermodynamic processes occurring in engines and the status of mathematical models expressing this understanding. Thermodynamic single system rate models are found to be extremely useful in predicting power and fuel consumption performance but of limited value in predicting emission performance. Multiple-zone, nonequilibrium models are essential for predicting emissions but are limited in accuracy by computer capacity and our understanding of engine phenomena which vary rapidly both with space and time. The need for and ability of new types of instrumentation, primarily optical, to increase our understanding of engine phenomena and improve our models is discussed.

The applicability of several popular diesel particulate matter (PM) measurement techniques to low temperature combustion is examined. The instruments' performance in measuring low levels of PM from advanced diesel combustion is evaluated. Preliminary emissions optimization of a high-speed light-duty diesel engine was performed for two conventional and two advanced low temperature combustion engine cases. A low PM (<0.2 g/kg_fuel) and NOx (<0.07 g/kg_fuel) advanced low temperature combustion (LTC) condition with high levels of exhaust gas recirculation (EGR) and early injection timing was chosen as a baseline. The three other cases were selected by varying engine load, injection timing, injection pressure, and EGR mass fraction. All engine conditions were run with ultra-low sulfur diesel fuel. An extensive characterization of PM from these engine operating conditions is presented.

A modification of the computational fluid dynamics code KIVA-II is presented that allows computations to be made in complex engine geometries. An example application is given in which three versions of KIVA-II are run simultaneously. Each version considers a separate block of the computational domain, and the blocks exchange boundary condition information with each other at their common interfaces. The use of separate blocks permits the connectedness of the overall computational domain to change with time. The scavenging flow in the cylinder, transfer pipes (ports), and exhaust pipe of a ported two-stroke engine with a moving piston was modeled in this way. Results are presented for three engine designs that differ only in the angle of their boost ports. The calculated flow fields and the resulting fuel distributions are shown to be markedly different with the different geometries.

A two dimensional CFD model has been developed to study the mechanism of soot deposition on the porous wall surface in a Diesel Particulate Filter (DPF). The goal is to improve understanding of the soot deposition and its interaction with the hydrodynamic behaviour of the device. The KIVA3V CFD code and pre-processor were modified to simulate a single channel in a DPF. The code was extended to solve the conservation equations in porous media materials, to account for the sticking of particles on a porous surface and to evaluate the increasing resistance to the flow as the soot inside the trap accumulates. The code is already configured to track Lagrangian particles and these were modified to represent the soot particles in the flow. The code pre-processor was modified to allow definition of a double-symmetric geometry and to specify porous cells.

The development of the Diesel Exhaust Filtration Analysis system (DEFA), which utilizes a rectangular wafer of the same substrate material as used in a full-scale Diesel Particulate Filter (DPF), is presented in this paper. Washcoat variations of the wafer substrate (bare, washcoat, and catalyzed washcoat) were available for testing. With this setup, the complications of flow and temperature distribution that arise in the full-scale DPF can be significantly minimized while critical parameters that affect the filtration performance can be fully controlled. Cold flow experiments were performed to test the system's reliability, and determine the permeability of each wafer type. A Computational Fluid Dynamics (CFD) package was utilized to ensure the flow uniformity inside the filter holder during the cold flow test.

Low pressure EGR offers greater effectiveness and flexibility for turbocharging and improved heat transfer compared to high pressure EGR systems. These characteristics have been shown to provide potential for further NOx, soot, and fuel consumption reductions in modern diesel engines. One of the drawbacks is reduced transient response capability due to the long EGR path. This can be largely mitigated by combining low pressure and high pressure loops in a hybrid EGR system, but the changes in transient response must be considered in the design of an effective control strategy. The effect of low pressure EGR on transient emissions was evaluated using two different combustion strategies over a variety of transient events. Low pressure EGR was found to significantly lengthen the response time of intake oxygen concentration following a transient event, which can have a substantial effect on emissions formation.

Oxygen enhancement in a direct injection (DI) diesel engine was studied to investigate the potential for particulate matter and NOx emissions control. The local oxygen concentration within the fuel plume was modified by oxygen enrichment of the intake air and by oxygenating the base fuel with 20% methyl t-butyl ether (MTBE). The study collected overall engine performance and engine-out emissions data as well as in-cylinder two-color measurements at 25% and 75% loads over a range of injection timings. The study found oxygen enhancement, whether it be from intake air enrichment or via oxygenated fuels, reduces particulate matter, the effectiveness depending on the local concentration of oxygen in the fuel plume. Since NOx emissions depend strongly on the temperature and oxygen concentration throughout the bulk cylinder gas, the global thermal and dilution effects from oxygen enrichment were greater than that from operation on oxygenated fuel.

The transient response of an engine with both High Pressure (HP) and Low Pressure (LP) EGR loops was compared by conducting step changes in EGR fraction at a constant engine speed and load. The HP EGR loop performance was shown to be closely linked to turbocharger performance, whereas the LP EGR loop was relatively independent of turbocharger performance and vice versa. The same experiment was repeated with the variable geometry turbine vanes completely open to reduce turbocharger action and achieve similar EGR rate changes with the HP and LP EGR loops. Under these conditions, the increased loop volume of the LP EGR loop prolonged the response of intake O2 concentration following the change in air-fuel ratio. The prolonged change of intake O2 concentration caused emissions to require more time to reach steady state as well. Strong coupling between the HP EGR loop and turbochargers was again observed using a hybrid EGR strategy.

An investigation of high speed direct injection (DI) compression ignition (CI) engine combustion fueled with gasoline injected using a triple-pulse strategy in the low temperature combustion (LTC) regime is presented. This work aims to extend the operation ranges for a light-duty diesel engine, operating on gasoline, that have been identified in previous work via extended controllability of the injection process. The single-cylinder engine (SCE) was operated at full load (16 bar IMEP, 2500 rev/min) and computational simulations of the in-cylinder processes were performed using a multi-dimensional CFD code, KIVA-ERC-Chemkin, that features improved sub-models and the Chemkin library. The oxidation chemistry of the fuel was calculated using a reduced mechanism for primary reference fuel combustion chosen to match ignition characteristics of the gasoline fuel used for the SCE experiments.

There is a significant global effort to study low temperature combustion (LTC) as a tool to achieve stringent emission standards with future light duty diesel engines. LTC utilizes high levels of dilution (i.e., EGR > 60% with <10%O2 in the intake charge) to reduce overall combustion temperatures and to lengthen ignition delay, This increased ignition delay provides time for fuel evaporation and reduces in-homogeneities in the reactant mixture, thus reducing NOx formation from local temperature spikes and soot formation from locally rich mixtures. However, as dilution is increased to the limits, HC and CO can significantly increase. Recent research suggests that CO emissions during LTC result from the incomplete combustion of under-mixed fuel and charge gas occurring after the premixed burn period [1, 2]1. The objective of the present work was to increase understanding of the HC/CO emission mechanisms in LTC at part-load.

The use of low temperature combustion (LTC) modes has demonstrated abilities to lower diesel engine emissions while maintaining good fuel consumption. LTC is assumed to be a viable solution to assist in meeting stringent upcoming diesel engine emissions targets, particularly nitric oxides (NOx) and particulate matter (PM). However, LTC is currently limited to low engine loads and is not a feasible solution at higher loads on production engines. A mixed mode combustion strategy must be implemented to take advantage of the benefits offered from LTC at the low loads and speeds while switching to a conventional diesel combustion strategy at higher loads and speeds and thus allowing full range use of the engine under realistic driving conditions. Experiments were performed to characterize engine out emissions during transient engine operating conditions involving LTC combustion strategies.

The objective of this study is to increase fundamental understanding of the effects of fuel composition and properties on low temperature combustion (LTC) and to identify major properties that could enable engine performance and emission improvements, especially under high load conditions. A series of experiments and computational simulations were conducted under LTC conditions using 67% EGR with 9.5% inlet O₂ concentration on a single-cylinder version of the General Motors Corporation 1.9L direct injection diesel engine. This research investigated the effects of Cetane number (CN), volatility and total aromatic content of diesel fuels on LTC operation. The values of CN, volatility, and total aromatic content studied were selected in a DOE (Design of Experiments) fashion with each variable having a base value as well as a lower and higher level. Timing sweeps were performed for all fuels at a lower load condition of 5.5 bar net IMEP at 2000 rpm using a single-pulse injection strategy.

Multi-zone CFD simulations with detailed kinetics were used to model iso-octane HCCI experiments performed on a single-cylinder research engine. The modeling goals were to validate the method (multi-zone combustion modeling) and the reaction mechanism (LLNL 857 species iso-octane) by comparing model results to detailed exhaust speciation data, which was obtained with gas chromatography. The model is compared to experiments run at 1200 RPM and 1.35 bar boost pressure over an equivalence ratio range from 0.08 to 0.28. Fuel was introduced far upstream to ensure fuel and air homogeneity prior to entering the 13.8:1 compression ratio, shallow-bowl combustion chamber of this 4-stroke engine. The CFD grid incorporated a very detailed representation of the crevices, including the top-land ring crevice and head-gasket crevice. The ring crevice is resolved all the way into the ring pocket volume. The detailed grid was required to capture regions where emission species are formed and retained.

Predictive models of soot formation during Diesel combustion are of great practical interest, particularly in light of newly proposed strict regulations on particulate emissions. A modified version of the phenomenological model of soot formation developed previously has been implemented in KIVA-II CFD code. The model includes major generic processes involved in soot formation during combustion, i.e., formation of soot precursors, formation of surface growth species, soot particle nucleation, coagulation, surface growth and oxidation. The formulation of the model within the KIVA-II is fully coupled with the mass and energy balances in the system. The model performance has been tested by comparison with the results of optical in-cylinder soot measurements in a single cylinder Cummins NH Diesel engine. The predicted soot volume fraction, number density and particle size agree reasonably well with the experimental data.

Low-temperature combustion concepts that utilize cooled EGR, early/retarded injection, high swirl ratios, and modest compression ratios have recently received considerable attention. To understand the combustion and, in particular, the soot formation process under these operating conditions, a modeling study was carried out using the KIVA-3V code with an improved phenomenological soot model. This multi-step soot model includes particle inception, surface growth, surface oxidation, and particle coagulation. Additional models include a piston-ring crevice model, the KH/RT spray breakup model, a droplet wall impingement model, a wall heat transfer model, and the RNG k-ε turbulence model. The Shell model was used to simulate the ignition process, and a laminar-and-turbulent characteristic time combustion model was used for the post-ignition combustion process.

The objective of this research is a detailed investigation of multiple injections in a highly-dilute diesel low temperature combustion (LTC) regime. This research concentrates on understanding the performance and emissions benefits of multiple injections via experiments and simulations in a 0.48L signal cylinder light-duty engine operating at 2000 r/min and 5.5 bar IMEP. Controlled experiments in the single-cylinder engine are then combined with three computational tools, namely heat release analysis of measured cylinder pressure, a phenomenological spray model using in-cylinder thermodynamics [1], and KIVA-3V Chemkin CFD computations recently tested at LTC conditions [2]. This study examines the effects of fuel split distribution, injection event timing, rail pressure, and boost pressure which are each explored within a defined operation range in LTC.