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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.

High-pressure diesel sprays were simulated with an Eulerian-Lagrangian Spray and Atomization (ELSA) model, based on a multidimensional engine computational fluid dynamics (CFD) code KIVA-3V. The atomization of the dense liquid core in the near-nozzle region was modeled with turbulent mixing of the diesel fuel with the ambient gas. Under the continuum assumption of a fuel-air mixture in this region, two transport equations were solved for the liquid mass fraction and liquid surface area density. At a certain downstream location where the spray became dilute, a switch from the Eulerian to the Lagrangian approach was made to benefit from the advantages of the conventional Lagrangian droplet models, such as droplet collision and turbulent dispersion modeling. The droplet size and velocity to be initialized at this switch were determined by the local CFD cell properties.

Engine experiments and multi-dimensional modeling were used to explore Reactivity Controlled Compression Ignition (RCCI) to realize highly-efficient combustion with near zero levels of NOx and PM. In-cylinder fuel blending using port-fuel-injection of a low reactivity fuel and optimized direct-injection of higher reactivity fuels was used to control combustion phasing and duration. In addition to injection and operating parameters, the study explored the effect of fuel properties by considering both gasoline-diesel dual-fuel operation, ethanol (E85)-diesel dual fuel operation, and a single fuel gasoline-gasoline+DTBP (di-tert butyl peroxide cetane improver). Remarkably, high gross indicated thermal efficiencies were achieved, reaching 59%, 56%, and 57% for E85-diesel, gasoline-diesel, and gasoline-gasoline+DTBP respectively.

A vaporization model for realistic multi-component fuel sprays is described. The equilibrium at the interface between liquid droplets and the surrounding gas is obtained based on the UNIFAC method, which considers non-ideal molecular interactions that can greatly enhance or suppress the vaporization of the components in the system compared to predictions from ideal mixing using Raoult's Law, especially for polar fuels. The present results using the UNIFAC method are shown to be able to capture the azeotropic behaviors of polar molecule blends, such as mixtures of benzene and ethanol, benzene and iso-propanol, and ethanol and water [1]. Predicted distillation curves of mixtures of ethanol and multi-component gasoline surrogates are compared to those from experiments, and the model gives good improvements on predictions of the distillation curves for initial ethanol volume fractions ranging from 0% to 100%.

The role of the fluid motion in a diesel engine on mixing and combustion was investigated using the CFD code Kiva-3v. The study considered pre-mixed charge compression ignition (PCCI) combustion that is a hybrid combustion system characterized by early injection timings and high amounts of EGR dilution to delay the start and lower the temperature of combustion. The fuel oxidizer mixture is not homogeneous at the start of combustion and therefore requires further mixing for complete combustion. PCCI combustion systems are characterized by relatively high CO and UHC emissions. This work investigates attenuating CO emissions by enhancing mixing processes through non-uniform flowfield motions. The fluid motion was characterized by the amount of average angular rotation about the cylindrical axis (swirl ratio) and the amount of non-uniform motion imparted by the relative amounts of mass inducted through tangential and helical intake ports in a 0.5L HSDI diesel engine.

The present study attempted to model experimental results obtained on an optical engine at the Sandia National Laboratory. Measurements of in-cylinder unburned hydrocarbon (UHC) distributions were provided using advanced optical diagnostics on a near production type piston. Previous multidimensional modeling provided accurate pressure profiles and heat release rate (HRR) predictions. However, the experimental UHC distribution was not matched, and the model predicted UHC extending from the bowl into the squish region in the expansion stroke. To explore the causes of this discrepancy a parametric study was performed using a variety of initial conditions, boundary conditions and model constants to explore their effects on the UHC distribution. Of the initial conditions, the swirl ratio was found to have the biggest impact on the UHC distribution.

RNG k-ε closure turbulence dissipation equations are evaluated employing the CFD code KIVA-3V Release 2. The numerical evaluations start by considering simple jet flows, including incompressible air jets and compressible helium jets. The results show that the RNG closure turbulence model predicts lower jet tip penetration than the "standard" k-ε model, as well as being lower than experimental data. The reason is found to be that the turbulence kinetic energy is dissipated too slowly in the downstream region near the jet nozzle exit. In this case, the over-predicted R term in RNG model becomes a sink of dissipation in the ε-equation. As a second step, the RNG turbulence closure dissipation models are further tested in complex engine flows to compare against the measured evolution of turbulence kinetic energy, and an estimate of its dissipation rate, during both the compression and expansion processes.

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 an innovative concept to control HCCI combustion in diesel-fuelled engines. This new combustion concept is called Homogenous Charge Progressive Combustion (HCPC). HCPC is based on split-cycle principle.

Resolution of droplet-scale processes occurring within engine sprays in multi-dimensional Computational Fluid Dynamics (CFD) simulations is not possible because impractically refined numerical meshes or time steps would be required. As a result, simulations that use coarse meshes and large time steps suffer from inaccurate predictions of mass, momentum and energy transfer between the spray drops and the combustion chamber gas, or poor prediction of droplet breakup and collision and coalescence processes. Several new spray models have been proposed to address these deficiencies, including use of an unsteady gas jet model to improve momentum transfer predictions in under-resolved regions of the spray, a vapor particle model to minimize numerical diffusion effects, and a Radius of Influence drop collision model to ensure consistent collision computations on different meshes.

The ignition process of fuel reactivity controlled PCCI combustion was investigated using engine experiments and detailed CFD modeling. The experiments were performed using a modified all metal heavy-duty, compression-ignition engine. The engine was fueled using commercially available gasoline (PON 91.6) and ULSD diesel delivered through separate port and direct injection systems, respectively. Experiments were conducted at a steady state-engine load of 4.5 bar IMEP and speed of 1300 rev/min. In-cylinder optical measurements focused on understanding the fuel decomposition and fuel reactivity stratification provided through the charge preparation. The measurement technique utilized point location optical access through a modified cylinder head with two access points in the firedeck. Optical measurements of natural thermal emission were performed with an FTIR operating in the 2-4.5 μm spectral region.

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.

The objective of this investigation is to optimize a light-duty diesel engine in order to minimize soot, NOx, carbon monoxide (CO), unburned hydrocarbon (UHC) emissions and peak pressure rise rate (PPRR) while improving fuel economy in a low oxygen environment. Variables considered are the injection timings, fractional amount of fuel per injection, half included spray angle, swirl, and stepped-bowl piston geometry. The KIVA-CHEMKIN code, a multi-dimensional computational fluid dynamics (CFD) program with detailed chemistry is used and is coupled to a multi-objective genetic algorithm (MOGA) along with an automated grid generator. The stepped-piston bowl allows more options for spray targeting and improved charge preparation. Results show that optimal combinations of the above variables exist to simultaneously reduce emissions and fuel consumption. Details of the spray targeting were found to have a major impact on the combustion process.

This study explores an Adaptive Injection Strategy (AIS) that employs multiple injections at both low and high pressures to reduce spray-wall impingement, control combustion phasing, and limit pressure rise rates in a Premixed Compression Ignition (PCI) engine. Previous computational studies have shown that reducing the injection pressure of early injections can prevent spray-wall impingement caused by long liquid penetration lengths. This research focuses on understanding the performance and emissions benefits of low and high pressure split injections through experimental parametric sweeps of a 0.48 L single-cylinder test engine operating at 2000 rev/min and 5.5 bar nominal IMEP. This study examines the effects of 2nd injection pressure, EGR, swirl ratio, and 1st and 2nd injection timing, for both single heat release and two-peak high temperature heat release cases. In order to investigate the AIS concept experimentally, a Variable Injection Pressure (VIP) system was developed.

The present work proposes a methodology for diesel engine development using multi-dimensional CFD and computer optimization. A multi-objective genetic algorithm coupled with the KIVA3V Release 2 code was used to optimize a high speed direct injection (HSDI) diesel engine for passenger car applications. The simulations were conducted using high-throughput computing with the CONDOR system. An automated grid generator was used for efficient mesh generation with 11 variable piston bowl geometry parameters. The first step in the procedure was to search for an optimal nozzle and piston bowl design. In this case, spray targeting, swirl ratio, and piston bowl shape were optimized separately for two full-load cases using simpler efficient combustion models (the characteristic time scale model and the shell ignition model). The optimal designs from the two optimizations were then validated using a combustion model with detailed chemistry (KIVA-CHEMKIN model and ERC n-heptane mechanism).

A set of scaling laws were previously developed to guide the transfer of combustion system designs between diesel engines of different sizes [ 1 , 2 , 3 , 4 ]. The intent of these scaling laws was to maintain geometric similarity of key parameters influencing diesel combustion such as in-cylinder spray penetration and flame lift-off length. The current study explores the impact of design constraints or limitations on the application of the scaling laws and the effect this has on the ability to replicate combustion and emissions. Multi dimensional computational fluid dynamics (CFD) calculations were used to evaluate the relative impact of engine design parameters on engine performance under full load operating conditions. The base engine was first scaled using the scaling laws. Design constraints were then applied to assess how such constraints deviate from the established scaling laws and how these alter the effectiveness of the scaling effort.

Detailed knowledge of hydrocarbon fuel combustion chemistry has grown tremendously in recent years. However, the gap between detailed chemistry and computational fluid dynamics (CFD) remains, because of the high cost of solving detailed chemistry in a large number of computational cells. This paper presents the results of applying a suite of techniques aimed at closing this gap. The techniques include use of a surrogate blend optimizer and a guided mechanism reduction methodology, as well as advanced methods for efficiently and accurately coupling the pre-reduced kinetic models with the multidimensional transport equations. The advanced methods include dynamic adaptive chemistry (DAC) and dynamic cell clustering (DCC) algorithms.

This study investigates the potential of controlling premixed charge compression ignition (PCCI and HCCI) 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 both high and low engine loads and was also effective to control the rate of pressure rise. The first part of the study used the KIVA-CHEMKIN code and a reduced primary reference fuel (PRF) mechanism to suggest optimized fuel blends and EGR combinations for HCCI operation at two engine loads (6 and 11 bar net IMEP). It was found that the minimum fuel consumption could not be achieved using either neat diesel fuel or neat gasoline alone, and that the optimal fuel reactivity required decreased with increasing load. For example, at 11 bar net IMEP, the optimum fuel blend and EGR rate for HCCI operation was found to be PRF 80 and 50%, respectively.

The effects of spray targeting on mixing, combustion, and pollutant formation under a low-load, late-injection, low-temperature combustion (LTC) diesel operating condition are investigated by optical engine measurements and multi-dimensional modeling. Three common spray-targeting strategies are examined: conventional piston-bowl-wall targeting (152° included angle); narrow-angle floor targeting (124° included angle); and wide-angle piston-bowl-lip targeting (160° included angle). Planar laser-induced fluorescence diagnostics in a heavy-duty direct-injection optical diesel engine provide two-dimensional images of fuel-vapor, low-temperature ignition (H2CO), high-temperature ignition (OH) and soot-formation species (PAH) to characterize the LTC combustion process.

The goal of this research is to investigate the physical parameters of stoichiometric operation of a diesel engine under a light load operating condition (6∼7 bar IMEP). This paper focuses on improving the fuel efficiency of stoichiometric operation, for which a fuel consumption penalty relative to standard diesel combustion was found to be 7% from a previous study. The objective is to keep NOx and soot emissions at reasonable levels such that a 3-way catalyst and DPF can be used in an aftertreatment combination to meet 2010 emissions regulation. The effects of intake conditions and the use of group-hole injector nozzles (GHN) on fuel consumption of stoichiometric diesel operation were investigated. Throttled intake conditions exhibited about a 30% fuel penalty compared to the best fuel economy case of high boost/EGR intake conditions. The higher CO emissions of throttled intake cases lead to the poor fuel economy.

With recent increases in global fuel prices there has become a growing interest in expanding the use of diesel engines in the transportation industry. However, new engine development is costly and time intensive, requiring many hours of expensive engine tests. The ability to accurately predict an engine's performance based on existing models would reduce the expense involved in creating a new engine of different size. In the present study experimental results from two single-cylinder direct injection diesel engines were used to examine previously developed engine scaling models. The first scaling model was based on an equal spray penetration correlation. The second model considered both equal spray penetration and flame lift-off length. The engines used were a heavy-duty Caterpillar engine with a 2.44L displacement and a light-duty GM engine with a 0.48L displacement.