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Manufacturers of heavy-duty diesel engines are facing increasingly stringent, emission standards. These standards have motivated new research efforts towards improving the performance of diesel engines. The objective of the present program is to develop a comprehensive analytical model of the diesel combustion process that can be used to explore the influence of design changes. This will enable industry to predict the effect of these changes on engine performance and emissions. A major benefit of the successful implementation of such models is that engine development time and costs would be reduced through their use. The computer model is based on the three-dimensional KIVA-II code, with state-of-the-art submodels for spray atomization, drop breakup / coalescence, multi-component fuel vaporization, spray/wall interaction, ignition and combustion, wall heat transfer, unburned HC and NOx formation, and soot and radiation.

A comprehensive biodiesel combustion model is presented for use in multi-dimensional engine simulations. The model incorporates realistic physical properties in a vaporization model developed for multi-component fuel sprays and applies an improved mechanism for biodiesel combustion chemistry. Previously, a detailed mechanism for methyl decanoate and methyl-9-decenoate was reduced from 3299 species to 85 species to represent the components of biodiesel fuel. In this work, a second reduction was performed to further reduce the mechanism to 69 species. Steady and unsteady spray simulations confirmed that the model adequately reproduced liquid penetration observed in biodiesel spray experiments. Additionally, the new model was able to capture expected fuel composition effects with low-volatility components and fuel blend sprays penetrating further.

This study investigates the potential of controlling premixed charge compression ignition (PCCI) combustion strategies by varying fuel reactivity. In-cylinder fuel blending using port fuel injection of gasoline and early cycle, direct-injection of diesel fuel was used for combustion phasing control at a medium engine load of 9 bar net IMEP and was also found to be effective to prevent excessive rates of pressure rise. Parameters used in the experiments were guided from the KIVA-CHEMKIN code with a reduced primary reference fuel (PRF) mechanism including injection timings, fuel percentages, and intake valve closing (IVC) timings for dual-fuel PCCI combustion. The engine experiments were conducted with a conventional common rail injector (i.e., wide angle and large nozzle hole) and demonstrated control and versatility of dual-fuel PCCI combustion with the proper fuel blend, SOI and IVC timings.

Optimizations were performed on a single-cylinder heavy-duty Caterpillar SCOTE 3401E engine for NOx, PM and BSFC reductions. The engine was equipped with a Caterpillar 300B HEUI fuel injection system capable of up to four injections with timings from 90 BTDC to 90 ATDC. The engine was operated at a medium load (57%), high speed (1737 rev/min) operation point. A micro-genetic algorithm was utilized to optimize a hybrid, double-injection strategy, which incorporated an early, premixed pilot injection with a late main injection. The fuel injection parameters, intake boost pressure, and EGR were considered in the optimization. The optimization produced a parameter set that met the 2007 and 2010 PM emissions mandate of 0.0134 g/kW-hr, and was within the 1.5x not to exceed NOx + HC mandate of 2.694 g/kW-hr. Following the optimization exercise, further parametric interaction studies were performed to reveal the underlying interactions and phenomena.

An experimental and numerical characterization has been conducted for high-pressure hydraulically actuated fuel injection systems. One single and one double-guided multi-hole Valve-Covered-Orifice (VCO) type injector was used with a Common Rail (CR) injection system, and two mini-sac injectors for Hydraulic electronic Unit Injection system (HEUI) were used with different orifice diameters. The purpose of the study was to explore the effects of the injection system and the operating conditions on the engine emissions for a direct injection small bore diesel engine. The diesel spray was injected into a pressurized chamber with optical access at ambient temperature. The gas density inside the chamber was representative of the density in a High Speed Direct Injection (HSDI) diesel engine at the time of injection. The experimental spray parameters included: injection pressure, injection duration, nozzle type, and nozzle diameter.

In this paper, optimized single and double injection schemes were found using multi-dimensional engine simulation software (KIVA-3V) and a micro-genetic algorithm for a heavy duty diesel engine. The engine operating condition considered was at 1737 rev/min and 57 % load. The engine simulation code was validated using an engine equipped with a hydraulic-electronically controlled unit injector (HEUI) system. Five important parameters were used for the optimization - boost pressure, EGR rate, start-of-injection timing, fraction of fuel in the first pulse and dwell angle between first and second pulses. The optimum results for the single injection scheme showed significant improvements for the soot and NOx emissions. The start of injection timing was found to be very early, which suggests HCCI-like combustion. Optimized soot and NOx emissions were reduced to 0.005 g/kW-hr and 1.33 g/kW-hr, respectively, for the single injection scheme.

The focus of the present study was to characterize Reactivity Controlled Compression Ignition (RCCI) using a single-fuel approach of gasoline and gasoline mixed with a commercially available cetane improver on a multi-cylinder engine. RCCI was achieved by port-injecting a certification grade 96 research octane gasoline and direct-injecting the same gasoline mixed with various levels of a cetane improver, 2-ethylhexyl nitrate (EHN). The EHN volume percentages investigated in the direct-injected fuel were 10, 5, and 2.5%. The combustion phasing controllability and emissions of the different fueling combinations were characterized at 2300 rpm and 4.2 bar brake mean effective pressure over a variety of parametric investigations including direct injection timing, premixed gasoline percentage, and intake temperature. Comparisons were made to gasoline/diesel RCCI operation on the same engine platform at nominally the same operating condition.

Homogeneous-charge, compression-ignition (HCCI) combustion is triggered by spontaneous ignition in dilute homogeneous mixtures. The combustion rate must be reduced by suitable solutions such as high rates of Exhaust Gas Recirculation (EGR) and/or lean mixtures. HCCI is considered a very effective way to reduce engine pollutant emissions, however only a few HCCI engines have entered into production. HCCI combustion currently cannot be extended to the whole engine operating range, especially to high loads, since the use of EGR displaces air from the cylinder, limiting engine mean effective pressure, thus the engine must be able to operate also in conventional mode. This paper concerns a study of an innovative concept to control HCCI combustion in diesel-fuelled engines. The concept consists in forming a pre-compressed homogeneous charge outside the cylinder and gradually admitting it into the cylinder during the combustion process.

Biodiesel-fueled engine simulations were performed using the KIVA3v-Release 2 code coupled with Chemkin-II for detailed chemistry. The model incorporates a reduced mechanism that was created from a methyl decanoate/methyl-9-decenoate mechanism developed at the Lawrence Livermore National Laboratory. A combination of Directed Relation Graph, chemical lumping, and limited reaction rate tuning was used to reduce the detailed mechanism from 3299 species and 10806 reactions to 77 species and 209 reactions. The mechanism was validated against its detailed counterpart and predicted accurate ignition delay times over a range of relevant operating conditions. The mechanism was then combined with the ERC PRF mechanism to include n-heptane as an additional fuel component. The biodiesel mechanism was applied in KIVA using a discrete multi-component model with accurate physical properties for the five common components of real biodiesel fuel.

Three different approaches for modeling diesel engine combustion are compared against cylinder pressure, NOx emissions, high-speed soot luminosity imaging, and 2-color thermometry data from a heavy-duty DI diesel engine. A characteristic time combustion (KIVA-CTC) model, a representative interactive flamelet (KIVA-RIF) model, and direct integration using detailed chemistry (KIVA-CHEMKIN) were integrated into the same version of the KIVA-3v computer code. In this way, the computer code provides a common platform for comparing various combustion models. Five different engine operating strategies that are representative of several different combustion regimes were explored in the experiments and model simulations. Two of the strategies produce high-temperature combustion with different ignition delays, while the other three use dilution to achieve low-temperature combustion (LTC), with early, late, or multiple injections.

The use of gasoline in a compression ignition engine has been a research focus lately due to the ability of gasoline to provide more premixing, resulting in controlled emissions of the nitrogen oxides [NOx] and particulate matter. The present study assesses the reactivity of 93 RON [87AKI] gasoline in a GM 1.9L 4-cylinder diesel engine, to extend the low load limit. A single injection strategy was used in available experiments where the injection timing was varied from −42 to −9 deg ATDC, with a step-size of 3 deg. The minimum fueling level was defined in the experiments such that the coefficient of variance [COV] of indicated mean effective pressure [IMEP] was less than 3%. The study revealed that injection at −27 deg ATDC allowed a minimum load of 2 bar BMEP. Also, advancement in the start of injection [SOI] timing in the experiments caused an earlier CA50, which became retarded with further advancement in SOI timing.

Many studies have demonstrated ability of low temperature combustion to yield low NOx and soot while maintaining diesel-like thermal efficiencies. Methods of achieving low temperature combustion are numerous and range from using high cetane number fuels, like diesel, with large amounts of exhaust gas recirculation, to completely premixing a high octane number fuel, like gasoline, and approaching an HCCI-like condition. Both of the aforementioned techniques have relatively short combustion duration that results in very a rapid rate of heat release, and hence very rapid rates of pressure rise. This has been one of the major challenges for premixed, low temperature combustion at mid and high load. Reactivity Controlled Compression Ignition (RCCI) has been introduced recently, which is a dual fuel partially premixed combustion concept.

The potential of low temperature combustion to yield low NOx and soot while maintaining diesel-like thermal efficiencies has been demonstrated through countless studies. Methods of achieving low temperature combustion are just as numerous and they range from using high cetane number fuels, like diesel, with large amounts of exhaust gas recirculation, to completely premixing a high octane number fuel, like gasoline, and approaching an HCCI-like condition. The potential of operating a heavy-duty compression ignition engine fueled with conventional gasoline in a partially premixed combustion mode to have high thermal efficiency and low emissions has been demonstrated in this study. The objective of this work was to optimize the engine using computational tools. The KIVA3V-CHEMKIN code, a multi-dimensional engine CFD model was coupled to a Nondominated Sorting Genetic Algorithm (NSGA II), which is a multi-objective genetic algorithm.

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 a new Nitric Oxide (NOx) reaction mechanism has been conducted by adding species, including hydrogen cyanide (HCN) and the CH radical to a reduced chemistry diesel combustion model. The additional chemical reactions were added to the ERC's reduced 12-step NOx mechanism, which consists of N, NO, N2O, and NO2. The new NOx mechanism was implemented into the KIVA/ERC-CHEMKIN code and was found to be able to predict the experimentally observed trend that the amount of engine-out NOx decreases as engine load is increased, which is not reproduced by the current reduced NOx mechanism. HCN and CH were found to be species that bridge CxHy products and N radicals via the reaction CH+N2→HCN+N under high equivalence ratio conditions, and Zeldovich NO formation is suppressed by the formation of HCN, a species in the Fenimore NO formation pathway. The additional species and reactions were also found to influence the prediction of engine-out soot emissions.

Progress on the development and validation of a CFD model for diesel engine combustion and flow is described. A modified version of the KIVA code is used for the computations, with improved submodels for liquid breakup, drop distortion and drag, spray/wall impingement with rebounding, sliding and breaking-up drops, wall heat transfer with unsteadiness and compressibility, multistep kinetics ignition and laminar-turbulent characteristic time combustion models, Zeldovich NOx formation, and soot formation with Nagle Strickland-Constable oxidation. The code also considers piston-cylinder-liner crevice flows and allows computations of the intake flow process in the realistic engine geometry with two moving intake valves. Significant progress has been made using a modified RNG k-ε turbulence model, and a multicomponent fuel vaporization model and a flamelet combustion model have been implemented.

The focus of the present study was to characterize the fuel reactivity of high octane number fuels (i.e., low fuel reactivity), namely gasoline, ethanol, and methanol when mixed with cetane improvers under lean, premixed combustion conditions. Two commercially available cetane improvers, 2-ethylhexyl nitrate and di-tert-butyl peroxide, were used in the study. First, blends of the primary reference fuels iso-octane and n-heptane were port injected under fixed operating conditions. The resulting combustion phasings were used to generate effective PRF number maps. Then, blends of the aforementioned base fuels and cetane improvers were tested under the same lean premixed conditions as the PRF blends. Based on the combustion phasing results of the base fuel and cetane improver mixture, the effective PRF number, or octane number, could be determined.

An engine emissions and performance study was conducted in conjunction with a series of experiments using a constant volume cold spray chamber. The purpose of the study was to explore the effects of number of holes and hole size on the emissions and performance of a direct injection heavy duty diesel engine. The spray experiments provide insight into the spray parameters and their role in the engine's combustion processes. The fuel system used for both the engine and spray chamber experiments was an electronically controlled, common rail injector. The injector nozzle hole size and number combinations used in the experiments included 225X8 (225 gm diameter holes with 8 holes in the nozzle), 260X6, 260X8, and 30OX6. The engine tests were conducted on an instrumented single cylinder version of the Caterpillar 3400 series heavy duty diesel engine. Data were taken with the engine running at 1600 RPM, 75% load.

Stoichiometric combustion could enable a three-way catalyst to be used for treating NOx emissions of diesel engines, which is one of the most difficult species for diesel engines to meet future emission regulations. Previous study by Lee et al. [1] showed that diesel engines can operate with stoichiometric combustion successfully with only a minor impact on fuel consumption. Low NOx emission levels were another advantage of stoichiometric operation according to that study. In this study, the characteristics of stoichiometric diesel combustion were evaluated experimentally to improve fuel economy as well as exhaust emissions The effects of fuel injection pressure, boost pressure, swirl, intake air temperature, combustion regime (injection timing), and engine load (fuel mass injected) were assessed under stoichiometric conditions.

An emissions and performance study was performed to show the effects of injection pressure, nozzle hole inlet condition (sharp and rounded edge) and nozzle included spray angle on particulate, NOx, and BSFC. The tests were conducted on a fully instrumented single-cylinder version of the Caterpillar 3406 heavy duty engine at 75% and 25% load at 1600 RPM. The fuel system consisted of an electronically controlled, hydraulically actuated, unit injector capable of injection pressures up to 160 MPa. Particulate versus NOx trade-off curves were generated for each case by varying the injection timing. The 75% load results showed the expected decrease in particulate and flattening of the trade-off curve with increased injection pressure. However, in going from 90 to 160 MPa, the timing had to be retarded to maintain the same NOx level, and this resulted in a 1 to 2% increase in BSFC. The rounded edged nozzles were found to have an increased discharge coefficient.