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The incorporation of detailed chemistry models in internal combustion engine simulations is becoming mandatory as local, globally lean, low-temperature combustion strategies are setting the path towards a more efficient and environmentally sustainable use of energy resources in transportation. In this paper, we assessed the computational efficiency of a recently developed sparse analytical Jacobian chemistry solver, namely ‘SpeedCHEM’, that features both direct and Krylov-subspace solution methods for maximum efficiency for both small and large mechanism sizes. The code was coupled with a high-dimensional clustering algorithm for grouping homogeneous reactors into clusters with similar states and reactivities, to speed-up the chemical kinetics solution in multi-dimensional combustion simulations.

The tradeoff between NOx emissions and combustion instability in an engine operating in the dual-fuel Reactivity Controlled Compression Ignition (RCCI) combustion mode was investigated using a combination of engine experiments and detailed CFD modeling. Experiments were performed on a single cylinder version of a General Motors/Fiat JTD 1.9L four-cylinder diesel engine. Gasoline was injected far upstream of the intake valve using an air assisted injector and fuel vaporization system and diesel was injected directly into the cylinder using a common rail injector. The timing of the diesel injection was swept from −70° ATDC to −20° ATDC while the gasoline percentage was adjusted to hold the average combustion phasing (CA50) and load (IMEPg) constant at 0.5° ATDC and 7 bar, respectively. At each operating point the variation in IMEP, peak PRR, and CA50 was calculated from the measured cylinder pressure trace and NOx, CO, soot and UHC were recorded.

Computational fluid dynamics of gas-fueled large-bore spark ignition engines with pre-chamber ignition can speed up the design process of these engines provided that 1) the reliability of the results is not affected by poor meshing and 2) the time cost of the meshing process does not negatively compensate for the advantages of running a computer simulation. In this work a flame propagation model that runs with arbitrary hybrid meshes was developed and coupled with the KIVA4-MHI CFD solver, in order to address these aims. The solver follows the G-Equation level-set method for turbulent flame propagation by Tan and Reitz, and employs improved numerics to handle meshes featuring different cell types such as hexahedra, tetrahedra, square pyramids and triangular prisms. Detailed reaction kinetics from the SpeedCHEM solver are used to compute the non-equilibrium composition evolution downstream and upstream of the flame surface, where chemical equilibrium is instead assumed.

The 4th Workshop of the Engine Combustion Network (ECN) was held September 5-6, 2015 in Kyoto, Japan. This manuscript presents a summary of the progress in experiments and modeling among ECN contributors leading to a better understanding of soot formation under the ECN “Spray A” configuration and some parametric variants. Relevant published and unpublished work from prior ECN workshops is reviewed. Experiments measuring soot particle size and morphology, soot volume fraction (fv), and transient soot mass have been conducted at various international institutions providing target data for improvements to computational models. Multiple modeling contributions using both the Reynolds Averaged Navier-Stokes (RANS) Equations approach and the Large-Eddy Simulation (LES) approach have been submitted. Among these, various chemical mechanisms, soot models, and turbulence-chemistry interaction (TCI) methodologies have been considered.

Low-temperature combustion (LTC) strategies have been an active area of research due to their ability to achieve high thermal efficiency while avoiding the formation of NOx and particulate matter. One of the largest challenges with LTC is the relative lack of authority over the heat release rate profile, which, depending on the particular injection strategy, either limits the maximum attainable load, or creates a tradeoff between noise and efficiency at high load conditions. We have shown previously that control over heat release can be dramatically improved through a combination of reactivity stratification in the premixed charge and a diffusion-limited injection that occurs after the conclusion of the low-temperature heat release, in a strategy called direct dual fuel stratification (DDFS).

The effect of direct-injected fuel on particle size distributions (PSDs) of particulate matter emitted from dual-fuel combustion strategies was investigated. The PSD data were acquired from a light-duty single-cylinder diesel engine operated using conventional diesel combustion (CDC) and two diesel/natural gas dual-fuel combustion strategies. Three different direct-injection (DI) fuels (diesel, 2,6,10-trimethyldodecane, and a primary reference fuel blend) and two different injector nozzles were studied. The DI fuels were chosen to have similar energy and ignition characteristics (heat of combustion and cetane number) but different physical and chemical properties (volatility, aromatics %, viscosity, density). The two nozzles (with different orifice diameter and spray angle) allowed a wide range in DI fuel quantity for the dual-fuel combustion strategies.

A computational, three-dimensional approach to investigate the behavior of diesel soot particles in the micro-channels of wall-flow Diesel Particulate Filters is presented. The KIVA3V CFD code, already extended to solve the 2D conservation equations for porous media materials [1], has been enhanced to solve in 2-D and 3-D the governing equations for reacting and compressible flows through porous media in non axes-symmetric geometries. With respect to previous work [1], a different mathematical approach has been followed in the implementation of the numerical solver for porous media, in order to achieve a faster convergency as source terms were added to the governing equations. The Darcy pressure drop has been included in the Navier-Stokes equations and the energy equation has been extended to account for the thermal exchange between the gas flow and the porous wall.

A method for automatically generating hex-dominant meshes for Computational Fluid Dynamics (CFD) applications is presented in this article. Two important regions of the mesh for any CFD simulation are the interior mesh and the boundary layer mesh. The interior mesh needs to be fine in the critical flow regions to ensure accurate solutions. The proposed method uses Bubble Mesh algorithm which packs bubbles inside the geometry to generate the mesh nodes. Algorithm was tested for sample flow problems and improvements were made to interior and boundary layer mesh generation methods. The interior mesh is generated using directionality and sizing control functions specified on the points of a 3D grid generated over the entire geometry. This offers a flexible control over mesh sizing and local mesh refinement. Boundary layer mesh is important to accurately model the physics of boundary layer near the geometry walls.

This research investigates how the handling of mixing and heat transfer in a multi-zone kinetic solver affects the prediction of carbon monoxide and hydrocarbon emissions for simulations of HCCI engine combustion. A detailed kinetics multi-zone model is now more closely coordinated with the KIVA3V computational fluid dynamics code for simulation of the compression and expansion processes. The fluid mechanics is solved with high spatial and temporal resolution (40,000 cells). The chemistry is simulated with high temporal resolution, but low spatial resolution (20 computational zones). This paper presents comparison of simulation results using this enhanced multi-zone model to experimental data from an isooctane HCCI engine.

Dual-fuel reactivity controlled compression ignition (RCCI) engine experiments were conducted with port fuel injection of isooctane and direct injection of n-heptane. The experiments were conducted at a nominal load of 4.75 bar IMEPg, with low isooctane equivalence ratios. Two sets of experiments explored the effects of direct injection timing with single and double injections, and multi-dimensional CFD modeling was used to explore mixture preparation and timing effects. The findings were that if fuel-liner impingement is to be avoided, double injections provide a 40% reduction in CO and HC emissions, resulting in a 1% increase in thermal efficiency. The second engine experiment showed that there is a linear relationship between reactivity (PRF number) and intake temperature. It was also found that if the premixed fuel fraction is above a certain limit, the high-temperature heat release (HTHR) can be manipulated by changing the global PRF number of the in-cylinder fuel blend.

Low pressure EGR offers greater effectiveness and flexibility for turbocharging and improved heat transfer compared to high pressure EGR systems. These characteristics have been shown to provide potential for further NOx, soot, and fuel consumption reductions in modern diesel engines. One of the drawbacks is reduced transient response capability due to the long EGR path. This can be largely mitigated by combining low pressure and high pressure loops in a hybrid EGR system, but the changes in transient response must be considered in the design of an effective control strategy. The effect of low pressure EGR on transient emissions was evaluated using two different combustion strategies over a variety of transient events. Low pressure EGR was found to significantly lengthen the response time of intake oxygen concentration following a transient event, which can have a substantial effect on emissions formation.

Modeling ignition kernel development in spark ignition engines is crucial to capturing the sources of cyclic variability, both with RANS and LES simulations. Appropriate kernel modeling must ensure that energy transfer from the electrodes to the gas phase has the correct timing, rate and locations, until the flame surface is large enough to be represented on the mesh by the G-Equation level-set method. However, in most kernel models, geometric details driving kernel growth are missing: either because it is described as Lagrangian particles, or because its development is simplified, i.e., down to multiple spherical flames. This paper covers the geometric aspects of kernel development, which makes up the core of a Triangulated Lagrangian Ignition Kernel model. One (or multiple, if it restrikes) spark channel is initialized as a one-dimensional Lagrangian particle thread.

The three-dimensional CFD codes KIVA-II and KIVA-3 have been used together to study the effects of intake generated in-cylinder flow structure on fuel-air mixing and combustion in a direct injected (DI) Diesel engine. In order to more accurately account for the effect of intake flow on in-cylinder processes, the KIVA-II code has been modified to allow for the use of data from other CFD codes as initial conditions. Simulation of the intake and compression strokes in a heavy-duty four-stroke DI Diesel engine has been carried out using KIVA-3. Flow quantities and thermodynamic field information were then mapped into a computational grid in KIVA-II for use in the study of mixing and combustion. A laminar and turbulent timescale combustion model, as well as advanced spray models, including wave breakup atomization, dynamic drop drag, and spray-wall interaction has been used in KIVA-II.

In-cylinder blending of gasoline and diesel to achieve Reactivity Controlled Compression Ignition (RCCI) has been shown to reduce NOX and particulate matter (PM) emissions while maintaining or improving brake thermal efficiency as compared to conventional diesel combustion (CDC). The RCCI concept has an advantage over many advanced combustion strategies in that the fuel reactivity can be tailored to the engine speed and load allowing stable low-temperature combustion to be extended over more of the light-duty drive cycle load range. Varying the premixed gasoline fraction changes the fuel reactivity stratification in the cylinder providing further control of combustion phasing and pressure rise rate than the use of EGR alone. This added control over the combustion process has been shown to allow rapid engine operating point exploration without direct modeling guidance.

A one-dimensional, non-equilibrium, compressible law of the wall model is proposed to increase the accuracy of heat transfer predictions from computational fluid dynamics (CFD) simulations of internal combustion engine flows on engineering grids. Our 1D model solves the transient turbulent Navier-Stokes equations for mass, momentum, energy and turbulence under the thin-layer assumption, using a finite-difference spatial scheme and a high-order implicit time integration method. A new algebraic eddy-viscosity closure, derived from the Han-Reitz equilibrium law of the wall, with enhanced Prandtl number sensitivity and compressibility effects, was developed for optimal performance. Several eddy viscosity sub-models were tested for turbulence closure, including the two-equation k-epsilon and k-omega, which gave insufficient performance.

The effects of numerical methodology in defining the initial conditions and simulating the compression stroke in D.I. diesel engine CFD computations are studied. Lumped and pointwise approaches were adopted in assigning the initial conditions at IVC. The lumped approach was coupled with a two-dimensional calculation of the compression stroke. The pointwise methodology was based on the results of an unsteady calculation of the intake stroke performed by using the STAR-CD code in the realistic engine and port geometry. Full engine and 60 deg. sector meshes were used in the compression stroke calculations in order to check the accuracy of the commonly applied axi-symmetric fluid dynamics assumption. Analysis of the evolution of the main fluid dynamics parameters revealed that local conditions at the time of injection strongly depend on the numerical procedure adopted.

The objective of this research was to investigate the effect of injection pressure on air entrainment into transient diesel sprays. The main application of interest was the direct injection diesel engine. Particle Image Velocimetry was used to make measurements of the air entrainment velocities into a spray plume as a function of time and space. A hydraulically actuated, electronically controlled unit injector (HEUI) system was used to supply the fuel into a pressurized spray chamber. The gas chamber density was maintained at 27 kg/m3. The injection pressures that were studied in this current research project were 117.6 MPa and 132.3 MPa. For different injection pressures, during the initial two-thirds of the spray plume there was little difference in the velocities normal to the spray surface. For the last third of the spray plume, the normal velocities were 125% higher for the high injection pressure case.

Diesel piston bowl geometry can affect turbulent mixing and therefore it impacts heat-release rates, thermal efficiency, and soot emissions. The focus of this work is on the effects of bowl geometry and injection timing on turbulent flow structure. This computational study compares engine behavior with two pistons representing competing approaches to combustion chamber design: a conventional, re-entrant piston bowl and a stepped-lip piston bowl. Three-dimensional computational fluid dynamics (CFD) simulations are performed for a part-load, conventional diesel combustion operating point with a pilot-main injection strategy under non-combusting conditions. Two injection timings are simulated based on experimental findings: an injection timing for which the stepped-lip piston enables significant efficiency and emissions benefits, and an injection timing with diminished benefits compared to the conventional, re-entrant piston.

The long-term goal of this work is to develop a conceptual model for multiple injections of diesel jets. The current work contributes to that effort by performing a detailed modeling investigation into mechanisms that are predicted to control 1st and 2nd stage ignition in single-pulse diesel (n-dodecane) jets under different conditions. One condition produces a jet with negative ignition dwell that is dominated by mixing-controlled heat release, and the other, a jet with positive ignition dwell and dominated by premixed heat release. During 1st stage ignition, fuel is predicted to burn similarly under both conditions; far upstream, gases at the radial-edge of the jet, where gas temperatures are hotter, partially react and reactions continue as gases flow downstream. Once beyond the point of complete fuel evaporation, near-axis gases are no longer cooled by the evaporation process and 1st stage ignition transitions to 2nd stage ignition.

In recent years society's demand and interest in clean and efficient internal combustion engines has grown significantly. Several ideas have been proposed and tested to meet this demand. In particular, dual-fuel Reactivity Controlled Compression Ignition (RCCI) combustion has demonstrated high thermal efficiency, and low engine-out NOx, and soot emissions. Unlike homogeneous charge compression ignition (HCCI) combustion, which solely relies on the chemical kinetics of the fuel for ignition control, RCCI combustion has proven to provide superior combustion controllability while retaining the known benefits of low emissions and high thermal efficiency of HCCI combustion. However, in order for RCCI combustion to be adopted as a high efficiency and low engine-out emission solution, it is important to achieve high-power operation that is comparable to conventional diesel combustion (CDC).