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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.

Two advanced combustion models have been validated with the KIVA-3V Release 2 code in the context of two-stage combustion in a heavy duty diesel engine. The first model uses CHEMKIN to directly integrate chemistry in each computational cell. The second model accounts for flame propagation with the G-equation, and CHEMKIN predicts autoignition and handles chemistry ahead of and behind the flame front. A Damköhler number criterion was used in flame containing cells to characterize the local mixing status and determine whether heat release and species change should be a result of flame propagation or volumetric heat release. The purpose of this criterion is to make use of physical and chemical time scales to determine the most appropriate chemistry model, depending on the mixture composition and thermodynamic properties of the gas in each computational cell.

The heavy-duty diesel engine industry is required to meet stringent emission standards. There is also the demand for more fuel efficient engines by the customer. In a previous study on an engine with variable intake valve closure timing, the authors found that an early single injection and accompanying premixed charge compression ignition (PCCI) combustion provides advantages in emissions and fuel economy; however, unacceptably high peak pressures and rates of pressure-rise impose a severe operating constraint. The use of a Pressure Reactive Piston assembly (PRP) as a means to limit peak pressures is explored in the present work. The concept is applied to a heavy-duty diesel engine and genetic algorithms (GA) are used in conjunction with the multi-dimensional engine simulation code KIVA-3V to provide an optimized set of operating variables.

Reactivity-controlled compression ignition (RCCI) has been shown to be capable of providing improved engine efficiencies coupled with the benefit of low emissions via in-cylinder fuel blending. Much of the previous body of work has studied the benefits of RCCI operation using high injection pressures (e.g., 500 bar or greater) with common rail injection (CRI) hardware. However, low-pressure fueling technology is capable of providing significant cost savings. Due to the broad market adoption of gasoline direct injection (GDI) fueling systems, a market-type prototype GDI injector was selected for this study. Single-cylinder light-duty engine experiments were undertaken to examine the performance and emissions characteristics of the RCCI combustion strategy with low-pressure GDI technology and compared against high injection pressure RCCI operation. Gasoline and diesel were used as the low-reactivity and high-reactivity fuels, respectively.

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.

A detailed thermodynamic analysis was performed to demonstrate the fundamental efficiency advantage of an opposed-piston two-stroke engine over a standard four-stroke engine. Three engine configurations were considered: a baseline six-cylinder four-stroke engine, a hypothetical three-cylinder opposed-piston four-stroke engine, and a three-cylinder opposed-piston two-stroke engine. The bore and stroke per piston were held constant for all engine configurations to minimize any potential differences in friction. The closed-cycle performance of the engine configurations were compared using a custom analysis tool that allowed the sources of thermal efficiency differences to be identified and quantified.

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.

A constant volume combustion simulation has been used to compute the ignition delays of pure fuels and binary fuel mixtures in air. Minima in the ignition delays were predicted by a comprehensive chemical kinetic mechanism for binary fuel mixtures with methane. A model has been developed to predict the occurrence of autoignition in a spark ignited engine. Experimental pressure data from a CFR engine were used in the model to simulate the temperature-pressure history of the end gas and to determine the time when autoignition occurred. Comprehensive chemical kinetic mechanisms were used to predict the reactions in the end gas. Methanol, methane, ethane, ethylene, propane and n-butane were used as fuels. The initial temperatures in the model were adjusted to give agreement between predicted and observed autoignition. Engine data for methane-ethane mixtures indicated a problem with the kinetic mechanism.

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.

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 was performed in which the effects on the regulated emissions from a commercial small DI diesel engine were measured for different refinery-derived fuel blends. Seven different fuel blends were tested, of which two were deemed to merit more detailed evaluation. To investigate the effects of fuel properties on the combustion processes with these fuel blends, two-color pyrometry was used via optically accessible cylinderheads. Additional data were obtained with one of the fuel blends with a heavy-duty DI diesel engine. California diesel fuel was used as a baseline. The fuel blends were made by mixing the components typically found in gasoline, such as methyl tertiary-butyl ether (MTBE) and whole fluid catalytic cracking gasoline (WH-FCC). The mixing was performed on a volume basis. Cetane improver (CI) was added to maintain the same cetane number (CN) of the fuel blends as that of the baseline fuel.

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).

Engine-out CO emission and fuel conversion efficiency were measured in a highly-dilute, low-temperature diesel combustion regime over a swirl ratio range of 1.44-7.12 and a wide range of injection timing. At fixed injection timing, an optimal swirl ratio for minimum CO emission and fuel consumption was found. At fixed swirl ratio, CO emission and fuel consumption generally decreased as injection timing was advanced. Moreover, a sudden decrease in CO emission was observed at early injection timings. Multi-dimensional numerical simulations, pressure-based measurements of ignition delay and apparent heat release, estimates of peak flame temperature, imaging of natural combustion luminosity and spray/wall interactions, and Laser Doppler Velocimeter (LDV) measurements of in-cylinder turbulence levels are employed to clarify the sources of the observed behavior.

A single cylinder, Cummins NH, direct-injection, diesel engine has been operated in order to evaluate the effects of aromatic content and aromatic structure on diesel engine particulates. Results from three fuels are shown. The first fuel, a low sulfur Chevron diesel fuel was used as a base fuel for comparison. The other fuels consisted of the base fuel and 10% by volume of 1-2-3-4 tetrahydronaphthalene (tetralin) a single-ring aromatic and naphthalene, a double-ring aromatic. The fuels were chosen to vary aromatic content and structure while minimizing differences in boiling points and cetane number. Measurements included exhaust particulates using a mini-dilution tunnel, exhaust emissions including THC, CO2, NO/NOx, O2, injection timing, two-color radiation, soluble organic fraction, and cylinder pressure. Particulate measurements were found to be sensitive to temperature and flow conditions in the mini-dilution tunnel and exhaust system.

Diesel fuels are complex mixtures of thousands of hydrocarbons. Since modeling their combustion characteristics with the inclusion of all hydrocarbon species is not feasible, a hybrid surrogate model approach is used in the present work to represent the physical and chemical properties of three different diesel fuels by using up to 13 and 4 separate hydrocarbon species, respectively. The surrogates are arrived at by matching their distillation profiles and important properties with the real fuel, while the chemistry surrogates are arrived at by using a Group Chemistry Representation (GCR) method wherein the hydrocarbon species in the physical property surrogates are grouped based on their chemical classes, and the chemistry of each class is represented by using up to two hydrocarbon species.

Gasoline fueled Homogeneous Charge Compression Ignition (HCCI) combustion with internal exhaust gas re-circulation using Negative Valve Overlap (NOL) was investigated by means of calculation and experiment in order to apply this technology to practical use with sufficient operating range and with acceptable emission and fuel consumption. In this paper we discuss the basic characteristics of NOL-HCCI with emphasis on the influence of intake valve timing on load range, residual gas fraction and induction air flow rate. Emission and fuel consumption under various operation conditions are also discussed. A water-cooled 250cc single cylinder engine with a direct injection system was used for this study. Three sets of valve timing were selected to investigate the effect of intake valve opening duration. Experimental results demonstrated that an engine speed of approximately 2000rpm yields an NMEP (Net Mean Effective Pressure) range from 200kPa to 400kPa.

An investigation of high speed direct injection (DI) compression ignition (CI) engine combustion fueled with gasoline (termed GDICI for Gasoline Direct-Injection Compression Ignition) in the low temperature combustion (LTC) regime is presented. As an aid to plan engine experiments at full load (16 bar IMEP, 2500 rev/min), exploration of operating conditions was first performed numerically employing 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. Operation ranges of a light-duty diesel engine operating with GDICI combustion with constraints of combustion efficiency, noise level (pressure rise rate) and emissions were identified as functions of injection timings, exhaust gas recirculation rate and the fuel split ratio of double-pulse injections.

A multi-dimensional model was used to calculate interactions between spray drops and gas motions close to the nozzle in dense high-pressure sprays. The model also accounts for the phenomena of drop breakup, drop collision and coalescence, and the effect of drops, on the gas turbulence. The calculations used a new method to describe atomization (a boundary condition in current spray codes). The method assumes that atomization and drop breakup are indistinguishable processes within the dense spray near the nozzle exit. Accordingly, atomization is prescribed by injecting drops (‘blobs’) that have a size equal to the nozzle exit diameter. The injected ‘blobs’ breakup due to interaction with the gas as they penetrate, yielding a core region which contains relatively large drops. The computed core length agrees well with available measurements of core length in high-pressure sprays.

The objectives of this study were 1) to evaluate the characteristics of rich diesel combustion near the stoichiometric operating condition, 2) to explore the possibility of stoichiometric operation of a diesel engine in order to allow use of a three-way exhaust after-treatment catalyst, and 3) to achieve practical operation ranges with acceptable fuel economy impacts. Boost pressure, EGR rate, intake air temperature, fuel mass injected, and injection timing variations were investigated to evaluate diesel stoichiometric combustion characteristics in a single-cylinder high-speed direct injection (HSDI) diesel engine. Stoichiometric operation in the Premixed Charge Compression Ignition (PCCI) combustion regime and standard diesel combustion were examined to investigate the characteristics of rich combustion. The results indicate that diesel stoichiometric operation can be achieved with minor fuel economy and soot impact.

High bandwidth transient data from a multi-cylinder diesel engine operating in a low temperature combustion regime was analyzed to identify and characterize the transient response behaviors primarily responsible for transient emissions of NO and UHC. Numerous different speed and load transients as well as different combustion modes and control strategies were studied to determine how these parameters affect transient performance. Limitations in the transient response of the air system were found to be the largest contributor to transient emissions, although the mechanism by which these limitations affect performance can vary greatly depending on conditions. Analysis of the data shows that transient emissions for low temperature combustion strategies are highly dependent on cycle-to-cycle changes in intake charge conditions. No fundamental difference was observed between the transient processes controlling speed and load changes.