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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.

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.

Many recent studies have shown that the Reactivity Controlled Compression Ignition (RCCI) combustion strategy can achieve high efficiency with low emissions. However, it has also been revealed that RCCI combustion is difficult at high loads due to its premixed nature. To operate at moderate to high loads with gasoline/diesel dual fuel, high amounts of EGR or an ultra low compression ratio have shown to be required. Considering that both of these approaches inherently lower thermodynamic efficiency, in this study natural gas was utilized as a replacement for gasoline as the low-reactivity fuel. Due to the lower reactivity (i.e., higher octane number) of natural gas compared to gasoline, it was hypothesized to be a better fuel for RCCI combustion, in which a large reactivity gradient between the two fuels is beneficial in controlling the maximum pressure rise rate.

A study of partially premixed combustion (PPC) with non-oxygenated 91 pump octane number1 (PON) commercially available gasoline was performed using a heavy-duty (HD) compression-ignition (CI) 2.44 l Caterpillar 3401E single-cylinder oil test engine (SCOTE). The experimental conditions selected were a net indicated mean effective pressure (IMEP) of 11.5 bar, an engine speed of 1300 rev/min, an intake temperature of 40°C with intake and exhaust pressures of 200 and 207 kPa, respectively. The baseline case for all studies presented had 0% exhaust gas recirculation (EGR), used a dual injection strategy a -137 deg ATDC pilot SOI and a -6 deg ATDC main start-of-injection (SOI) timing with a 30/70% pilot/main fuel split for a total of 5.3 kg/h fueling (equating to approximately 50% load). Combustion and emissions characteristics were explored relative to the baseline case by sweeping main and pilot SOI timings, injection split fuel percentage, intake pressure, load and EGR levels.

A transport equation residual model incorporating refined G-equation and detailed chemical kinetics combustion models has been developed and implemented in the ERC KIVA-3V release2 code for Gasoline Direct Injection (GDI) engine simulations for better predictions of flame propagation. In the transport equation residual model a fictitious species concept is introduced to account for the residual gases in the cylinder, which have a great effect on the laminar flame speed. The residual gases include CO2, H2O and N2 remaining from the previous engine cycle or introduced using EGR. This pseudo species is described by a transport equation. The transport equation residual model differentiates between CO2 and H2O from the previous engine cycle or EGR and that which is from the combustion products of the current engine cycle.

The lift-off length plays a significant role in spray combustion as it influences the air entrainment upstream of the lift-off location and hence the soot formation. Accurate prediction of lift-off length thus becomes a prerequisite for accurate soot prediction in lifted flames. In the present study, KIVA-3v coupled with CHEMKIN, as developed at the Engine Research Center (ERC), is used as the CFD model. Experimental data from the Sandia National Labs. is used for validating the model predictions of n-heptane lift-off lengths and soot formation details in a constant volume combustion chamber. It is seen that the model predictions, in terms of lift-off length and soot mass, agree well with the experimental results for low ambient density (14.8 kg/m3) cases with different EGR rates (21% O2 - 8% O2). However, for high density cases (30 kg/m3) with different EGR rates (15% O2 - 8% O2) disagreements were found.

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.

To overcome the trade-off between NOx and particulate emissions for future diesel vehicles and engines it is necessary to seek methods to lower pollutant emissions. The desired simultaneous improvement in fuel efficiency for future DI (Direct Injection) diesels is also a difficult challenge due to the combustion modifications that will be required to meet the exhaust emission mandates. This study demonstrates the emission reduction capability of split injections, EGR (Exhaust Gas Recirculation), and other parameters on a High Speed Direct Injection (HSDI) diesel engine equipped with a common rail injection system using an RSM (Response Surface Method) optimization method. The optimizations were conducted at 1757 rev/min, 45% load. Six factors were considered for the optimization, namely the EGR rate, SOI (Start of Injection), intake boost pressure, and injection pressure, the percentage of fuel in the first injection, and the dwell between injections.

A study of the combined use of split injections, EGR, and flexible boosting was conducted. Statistical optimization of the engine operating parameters was accomplished using a new response surface method. The objective of the study was to demonstrate the emissions and fuel consumption capabilities of a state-of-the-art heavy -duty diesel engine when using split injections, EGR, and flexible boosting over a wide range of engine operating conditions. Previous studies have indicated that multiple injections with EGR can provide substantial simultaneous reductions in emissions of particulate and NOx from heavy-duty diesel engines, but careful optimization of the operating parameters is necessary in order to receive the full benefit of these combustion control techniques. Similarly, boost has been shown to be an important parameter to optimize. During the experiments, an instrumented single-cylinder heavy -duty diesel engine was used.

An engine cycle simulation code with detailed chemical kinetics has been developed to study Homogeneous Charge Compression Ignition (HCCI) combustion with hydrogen as the fuel. In order to attain adequate combustion duration, resulting from the self-accelerating nature of the chemical reaction, fuel and temperature inhomogeneities have been brought to the calculation by considering the combustion chamber to have various temperature and fuel distributions. Calculations have been done under various conditions including both perfectly homogeneous and inhomogeneous cases, changing the degree of inhomogeneity. The results show that intake gas temperature is more dominant on ignition timing of HCCI than equivalence ratio and that there is a possibility to control HCCI by introducing appropriate temperature inhomogeneity to in-cylinder mixture.

A study of statistical optimization of engine operating parameters was conducted. The objective of the study was to develop a strategy to efficiently optimize operating parameters of diesel engines with multiple injection and EGR capabilities. Previous studies have indicated that multiple injections with EGR can provide substantial simultaneous reductions in emissions of particulate and NOx from heavy-duty diesel engines, but careful optimization of the operating parameters is necessary in order to receive the full benefit of these combustion control techniques. The goal of the present study was to optimize the control parameters to reduce emissions and brake specific fuel consumption. An instrumented single-cylinder heavy-duty diesel engine was used with a prototype mechanically actuated (cam driven) fuel injection system.

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.

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.

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.

A modified version of the multi-dimensional KIVA-II code is used to model the effects of multiple injection schemes and exhaust gas recirculation (EGR) on direct injected diesel engine NOx and soot emissions. The computational results, which also considered double and triple injection schemes and varying EGR amounts, are compared with experimental data obtained from a single cylinder version of a Caterpillar heavy-duty truck engine. The study is done at high load (75% of peak torque at 1600 rpm) where EGR is known to produce unacceptable increases in soot (particulate). The effect of soot and spray model formulations are considered. This includes a new spray model based on Rayleigh-Taylor instabilities for liquid breakup. A soot oxidation model that accounts for turbulent mixing and kinetic effects were found to give accurate results. The results showed excellent agreement between predicted and measured in-cylinder pressure, and heat release data for the various cases.

A two-dimensional transient Heat Conduction in Components code (HCC) was successfully set up and extensively used to calculate the temperature field existing in real engine combustion chambers. The Saul'yev method, an explicit, unconditionally stable finite difference method, was used in the code. Consideration of the gasket between the cylinder wall and head, and the air gap between the piston and liner were included in the code. The realistic piston bowl shape was modeled with a grid transformation and piston movement was considered. The HCC code was used to calculate the wall temperature of an Isuzu ceramic engine and a Caterpillar heavy-duty diesel engine. The code was combined with the KIVA-II code in an iterative loop, in which the KIVA-II code provided the instantaneous local heat flux on the combustion chamber surfaces, and the HCC code computed the time-averaged wall temperature distribution on the surfaces.

A, three-dimensional CFD code, based on the KIVA code, is used to explore alternatives to conventional DI diesel engine designs for reducing NOx and soot emissions without sacrificing engine performance. The effects of combustion chamber design and fuel spray orientation are investigated using a new proposed GAMMA engine concept, and two new multiple injector combustion system (MICS) designs which utilize multiple injectors to increase gas motion and enhance fuel/air mixing in the combustion chamber. From these computational studies, it is found that both soot and nitrous oxide emissions can be significantly reduced without the need for more conventional emission control strategies such as EGR or ultra high injection pressure. The results suggest that CFD models can be a useful tool not only for understanding combustion and emissions production, but also for investigating new design concepts.

This research uses computational modeling to explore methods to increase diesel engine power density while maintaining low pollutant emission levels. Previous experimental studies have shown that injection-rate profiles and injector configurations play important roles on the performance and emissions of particulate and NOx in DI diesel engines. However, there is a lack of systematic studies and fundamental understanding of the mechanisms of spray atomization, mixture formation and distribution, and subsequently, the combustion processes in spray/spray and spray/swirl interaction and flow configurations. In this study, the effects of split injections and multiple injector configurations on diesel engine emissions are investigated numerically using a multidimensional computer code. In order to be able to explore the effects of enhanced fuel-air mixing, the use of multiple injectors with different injector locations, spray orientations and impingement angles was studied.

Multidimensional computations were carried out to simulate the in-cylinder fuel/air mixing process of a direct-injection spark-ignition engine using a modified version of the KIVA-3 code. A hollow cone spray was modeled using a Lagrangian stochastic approach with an empirical initial atomization treatment which is based on experimental data. Improved Spalding-type evaporation and drag models were used to calculate drop vaporization and drop dynamic drag. Spray/wall impingement hydrodynamics was accounted for by using a phenomenological model. Intake flows were computed using a simple approach in which a prescribed velocity profile is specified at the two intake valve openings. This allowed three intake flow patterns, namely, swirl, tumble and non-tumble, to be considered. It was shown that fuel vaporization was completed at the end of compression stroke with early injection timing under the chosen engine operating conditions.

A droplet vaporization model has been developed for use in high pressure spray modeling. The model is a modification of the common Spalding vaporization model that accounts for the effects of high pressure on phase equilibrium, transport properties, and surface tension. The new model allows for a nonuniform temperature within the liquid by using a simple 2-zone model for the droplet. The effects of the different modifications are tested both for the case of a single vaporizing droplet in a quiescent environment as well as for a high pressure spray using the KIVA II code. Comparisons with vaporizing spray experiments show somewhat improved spray penetration predictions. Also, the effect of the vaporization model on diesel combustion predictions was studied by applying the models to simulate the combustion process in a heavy duty diesel engine. In this case the standard and High Pressure vaporization models were found to give similar heat release and emissions results.