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The paper presents the development of a novel approach to the solution of detailed chemistry in internal combustion engine simulations, which relies on the analytical computation of the ordinary differential equations (ODE) system Jacobian matrix in sparse form. Arbitrary reaction behaviors in either Arrhenius, third-body or fall-off formulations can be considered, and thermodynamic gas-phase mixture properties are evaluated according to the well-established 7-coefficient JANAF polynomial form. The current work presents a full validation of the new chemistry solver when coupled to the KIVA-4 code, through modeling of a single cylinder Caterpillar 3401 heavy-duty engine, running in two-stage combustion mode.

A multi-component fuel model is used to represent gasoline in computational fluid dynamics (CFD) simulations of a dual-fuel engine that combines premixed gasoline injection with diesel direct injection. The simulations employ detailed-kinetics mechanisms for both the gasoline and diesel surrogate fuels, through use of an advanced and efficient chemistry solver. The objective of this work is to elucidate kinetics effects of dual-fuel usage in Reactivity Controlled Compression Ignition (RCCI) combustion. The model is applied to simulate recent experiments on highly efficient RCCI engines. These engine experiments used a dual-fuel RCCI strategy with port-fuel-injection of gasoline and early-cycle, multiple injections of diesel fuel with a conventional diesel injector. The experiments showed that the US 2010 heavy-duty NO and soot emissions regulations were easily met without aftertreatment, while achieving greater than 50% net indicated thermal efficiency.

Two-Color imaging optics were developed and used to observe soot emission processes in a modern heavy-duty diesel engine. The engine was equipped with a common rail, electronically-controlled, high-pressure fuel injection system that is capable of up to four injection pulses per engine cycle. The engine was instrumented with an endoscope system for optical access for the combustion visualization. Multidimensional combustion and soot modeling results were used for comparisons to enhance the understanding and interpretation of the experimental data. Good agreement between computed and measured cylinder pressures, heat release and soot and NOx emissions was achieved. In addition, good qualitative agreement was found between in-cylinder soot concentration (KL) and temperature fields obtained from the endoscope images and those obtained from the multidimensional modeling.

An experimental study of luminous combustion in a modern diesel engine was performed to investigate the effect of injection parameters on NOX and soot formation via flame temperature and soot KL factor measurements. The two-color technique was applied to 2-D soot luminosity images and area-averaged soot radiation signals to obtain spatially and temporally resolved flame temperature and soot KL factor. The imaging system used for this study was based on a wide-angle endoscope that was mounted in the cylinder head and allowed different views of the combustion chamber. The experiments were carried out on a single-cylinder 2.4 liter D.I. diesel engine equipped with an electronically controlled common-rail injection system. Operating conditions were 1600 rpm and 75% load. The two-color results confirm that retarding the injection timing causes lower flame temperatures and NOX emissions but increased soot formation, independent of injection strategy.

The development of analytic models of diesel engine flow, combustion and subprocesses is described. The models are intended for use as design tools by industry for the prediction of engine performance and emissions to help reduce engine development time and costs. Part of the research program includes performing engine experiments to provide validation data for the models. The experiments are performed on a single-cylinder version of the Caterpillar 3406 engine that is equipped with state-of-the-art high pressure electronic fuel injection and emissions instrumentation. In-cylinder gas velocity and gas temperature measurements have also been made to characterize the flows in the engine.

A numerical study of the effects of injection parameters and operating conditions for diesel-fuel HCCI operation is presented with consideration of Variable Geometry Sprays (VGS). Methods of mixture preparation are explored that overcome one of the major problems in HCCI engine operation with diesel fuel and conventional direct injection systems, i.e., fuel loss due to wall impingement and the resulting unburned fuel. Low pressure injection of hollow cone sprays into the cylinder of a production engine with the spray cone angle changing during the injection period were simulated using the multi-dimensional KIVA-3V CFD code with detailed chemistry. Variation of the starting and ending spray angles, injection timing, initial cylinder pressure and temperature, swirl intensity, and compression ratio were explored. As a simplified case of VGS, two-pulse, hollow-cone sprays were also simulated.

Multidimensional models require physical inputs about the engine operating conditions. This paper explores the effects of unavoidable experimental uncertainties in the specification of important parameters such as the start of injection, duration of injection, amount of fuel injected per cycle, gas temperature at IVC, and the spray nozzle hole diameter. The study was conducted for a Caterpillar 3401 heavy-duty diesel engine for which extensive experimental data is available. The engine operating conditions include operation at high and low loads, with single and double injections. The computations were performed using a modified version of the KIVA3V code. Initially the model was calibrated to give very good agreement with experimental data in terms of trends and also to a lesser degree in absolute values, over a range of operating conditions and injection timings.

An electronically controlled Caterpillar single-cylinder oil test engine (SCOTE) was used to study diesel combustion. The SCOTE retains the port, combustion chamber, and injection geometry of the production six cylinder, 373 kW (500 hp) 3406E heavy-duty truck engine. The engine was equipped with an electronic unit injector and an electronically controlled common rail injector that is capable of multiple injections. An emissions investigation was carried out using a six-mode cycle simulation of the EPA Federal Transient Test Procedure. The results show that the SCOTE meets current EPA mandated emissions levels, despite the higher internal friction imposed by the single-cylinder configuration. NOx versus particulate trade-off curves were generated over a range of injection timings for each mode and results of heat release calculations were examined, giving insight into combustion phenomena in current “state of the art” heavy-duty diesel engines.

In-cylinder flow and combustion processes simulated with the standard k-ε turbulence model and with an alternative model-employing a non-linear, quadratic equation for the turbulent stresses-are contrasted for both motored and fired engine operation at two loads. For motored operation, the differences observed in the predictions of mean flow development are small and do not emerge until expansion. Larger differences are found in the spatial distribution and magnitude of turbulent kinetic energy. The non-linear model generally predicts lower energy levels and larger turbulent time scales. With fuel injection and combustion, significant differences in flow structure and in the spatial distribution of soot are predicted by the two models. The models also predict considerably different combustion efficiencies and NOx emissions.

Controlling start of ignition in Homogenous Charge Compression Ignition (HCCI) engines remains a major challenge. Here we have investigated changes in intake charge composition and its effects on ignition delay for natural gas based HCCI engine operation. In particular, we have investigated the effects of small amounts of nitrogen dioxide (NO2) on operating characteristics. Previous research had shown that NOx presence might attenuate natural gas ignition. The hypothesized catalytic effect of NOx on methane ignition at HCCI conditions was experimentally confirmed in a custom built engine. The problem was further studied in both zero and multidimensional numerical engine simulations with detailed chemistry. The simulations were used to complete a reaction rate sensitivity analysis to elucidate the controlling chemistry, and further confirm that a significant shift in ignition phasing is produced with the addition of just several ppm by volume of NO2 or NOx (NO + NO2).

Due to the upcoming regulations for particulate matter (PM) emissions from GDI engines, a computational fluid dynamic (CFD) modeling study to predict soot emissions (both mass and solid particle number) from gasoline direct injection (GDI) engines was undertaken to provide insights on how and why soot emissions are formed from GDI engines. In this way, better methods may be developed to control or reduce PM emissions from GDI engines. In this paper, the influence of engine operating parameters was examined for a side-mounted fuel injector configuration in a direct-injection spark-ignition (DISI) engine. The present models are able to reasonably predict the influences of the variables of interest compared to available experimental data or literature. For a late injection strategy, effects of the fuel composition, and spray cone angle were investigated with a single-hole injector.

An integrated numerical model has been developed for diesel engine computations based on the KIVA-II code. The model incorporates a modified RNG k-ε, turbulence model, a ‘wave’ breakup spray model, the Shell ignition model, the laminar-and-turbulent characteristic-time combustion model, a crevice flow model, a spray/wall impingement model that includes rebounding and breaking-up drops, and other improved submodels in the KIVA code. The model was validated and applied to model successfully different types of diesel engines under various operating conditions. These engines include a Caterpillar engine with different injection pressures at different injection timings, a small Tacom engine at different loads, and a Cummins engine modified by Sandia for optical experiments. Good levels of agreement in cylinder pressures and heat release rate data were obtained using the same computer model for all engine cases.

The effect of spray targeting on exhaust emissions, especially soot and carbon monoxide (CO) formation, were investigated in a single-cylinder, high-speed, direct-injection (HSDI) diesel engine. The spray targeting was examined by sweeping the start-of-injection (SOI) timing with several nozzles which had different spray angles ranging from 50° to 154°. The tests were organized to monitor the emissions in Premixed Charge Compression Ignition (PCCI) combustion by introducing high levels of EGR (55%) with a relatively low compression ratio (16.0) and an open-crater type piston bowl. The study showed that there were optimum targeting spots on the piston bowl with respect to soot and CO formation, while nitric oxide (NOx) formation was not affected by the targeting. The soot and CO production were minimized when the spray was targeted at the edge of the piston bowl near the squish zone, regardless of the spray angle.

Sources of unburned hydrocarbon (UHC) emissions are examined for a highly dilute (10% oxygen concentration), moderately boosted (1.5 bar), low load (3.0 bar IMEP) operating condition in a single-cylinder, light-duty, optically accessible diesel engine undergoing partially-premixed low-temperature combustion (LTC). The evolution of the in-cylinder spatial distribution of UHC is observed throughout the combustion event through measurement of liquid fuel distributions via elastic light scattering, vapor and liquid fuel distributions via laser-induced fluorescence, and velocity fields via particle image velocimetry (PIV). The measurements are complemented by and contrasted with the predictions of multi-dimensional simulations employing a realistic, though reduced, chemical mechanism to describe the combustion process.

An analysis of the soot formation and oxidation process in a conventional direct-injection (DI) diesel flame was conducted using numerical simulations. An improved multi-step phenomenological soot model that includes particle inception, particle coagulation, surface growth and oxidation was used to describe the soot formation and oxidation process. The soot model has been implemented into the KIVA-3V code. Other model Improvements include a piston-ring crevice model, a KH/RT spray breakup model, a droplet wall impingement model, a wall-temperature 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. Experimental data from a heavy-duty, Cummins N14, research DI diesel engine operated with conventional injection under low-load conditions were selected as a benchmark.

An emissions and performance study was conducted to explore the effects of exhaust gas recirculation (EGR) and multiple injections on the emission of oxides of nitrogen (NOx), particulate emissions, and brake specific fuel consumption (BSFC) over a wide range of engine operating conditions. The tests were conducted on an instrumented single cylinder version of the Caterpillar 3400 series heavy duty Diesel engine. Data was taken at 1600 rev/min, and 75% load, and also at operating conditions taken from a 6-mode simulation of the federal transient test procedure (FTP). The fuel system used was an electronically controlled, common rail injector and supporting hardware. The fuel system was capable of as many as four independent injections per combustion event at pressures from 20 to 120MPa.

Due to concerns regarding pollutant and CO2 emissions, advanced combustion modes that can simultaneously reduce exhaust emissions and improve thermal efficiency have been widely investigated. The main characteristic of the new combustion strategies, such as HCCI and LTC, is that the formation of a homogenous mixture or a controllable stratified mixture is required prior to ignition. The major issue with these approaches is the lack of a direct method for the control of ignition timing and combustion rate, which can be only indirectly controlled using high EGR rates and/or lean mixtures. Homogeneous Charge Progressive Combustion (HCPC) is based on the split-cycle principle. Intake and compression phases are performed in a reciprocating external compressor, which drives the air into the combustor cylinder during the combustion process, through a transfer duct. A transfer valve is positioned between the compressor cylinder and the transfer duct.

Experiments show that intake flow details have a significant influence on High-Speed Direct-Injection (HSDI) diesel engine soot emissions. Four different intake modes were simulated using the combination of the CFD codes, STAR-CD and KIVA-3V, to investigate spray-intake flow-emission interaction characteristics. The simulation results were compared to steady-state flow bench data and engine experimental data. It was found that it is difficult to accurately predict the timing of the small pilot and main combustion events, simultaneously, with current simplified ignition models. NOx emissions were predicted well, however, an insensitivity of the soot emissions to the details of the intake process was found, mainly due to the deficiencies in predicting the ignition delay. The results show that a strong swirling flow causes the formed soot to remain within the bowl, leading to high soot emissions.

An emissions and performance study was conducted to explore the effects of EGR and multiple injections on particulate, NOx, and BSFC. EGR is known to be effective at reducing NOx, but at high loads there is usually a large increase in particulate. Recent work has shown that multiple injections are effective at reducing particulate. Thus, it was of interest to examine the possibility of simultaneously reducing particulate and NOx with the combined use of EGR and multiple injections. The tests were conducted on a fully instrumented single cylinder version of the Caterpillar 3406 heavy duty truck engine. Tests were done at high load (75% of peak torque at 1600 RPM where EGR has been shown to produce unacceptable increases in particulate emissions. The fuel system used was an electronically controlled, common rail injector and supporting hardware. The fuel system was capable of up to four independent injections per cycle.

An experimental study has been completed which evaluated the effectiveness of using double, triple and rate shaped injections to simultaneously reduce particulate and NOx emissions. The experiments were done using a single cylinder version of a Caterpillar 3406 heavy duty D.I. diesel engine. The fuel system used was a common rail, electronically controlled injector that allowed flexibility in both the number and duration of injections per cycle. Injection timing was varied for each injection scheme to evaluate the particulate vs. NOx tradeoff and fuel consumption. Tests were done at 1600 rpm using engine load conditions of 25% and 75% of maximum torque. The results indicate that a double injection with a significantly long delay between injections reduced particulate by as much as a factor of three over a single injection at 75% load with no increase in NOx. Double injections with a smaller dwell gave less improvement in particulate and NOx at 75% load.