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Technical Paper

Investigation of Chemical Kinetics on Soot Formation Event of n-Heptane Spray Combustion

In this reported work, 2-dimsensional computational fluid dynamics studies of n-heptane combustion and soot formation processes in the Sandia constant-volume vessel are carried out. The key interest here is to elucidate how the chemical kinetics affects the combustion and soot formation events. Numerical computation is performed using OpenFOAM and chemistry coordinate mapping (CCM) approach is used to expedite the calculation. Three n-heptane kinetic mechanisms with different chemistry sizes and comprehensiveness in oxidation pathways and soot precursor formation are adopted. The three examined chemical models use acetylene (C2H2), benzene ring (A1) and pyrene (A4) as soot precursor. They are henceforth addressed as nhepC2H2, nhepA1 and nhepA4, respectively for brevity. Here, a multistep soot model is coupled with the spray combustion solver to simulate the soot formation/oxidation processes.
Technical Paper

Injection of Fuel at High Pressure Conditions: LES Study

This paper presents a large eddy simulation study of the liquid spray mixing with hot ambient gas in a constant volume vessel under engine-like conditions with the injection pressure of 1500 bar, ambient density 22.8 kg/m₃, ambient temperature of 900 K and an injector nozzle of 0.09 mm. The simulation results are compared with the experiments carried out by Pickett et al., under similar conditions. Under modern direct injection diesel engine conditions, it has been argued that the liquid core region is small and the droplets after atomization are fine so that the process of spray evaporation and mixing with the air is controlled by the heat and mass transfer between the ambient hot gas and central fuel flow. To examine this hypothesis a simple spray breakup model is tested in the present LES simulation. The simulations are performed using an open source compressible flow solver, in OpenFOAM.
Technical Paper

Numerical Simulation of the ECN Spray A Using Multidimensional Chemistry Coordinate Mapping: n-Dodecane Diesel Combustion

A three dimensional numerical simulation of the ECN “Spray A” is presented. Both primary and secondary breakup of the spray are included. The fuel is n-Dodecane. The n-Dodecane kinetic mechanism is modeled using a skeletal mechanism that consists of 103 species and 370 reactions [9]. The kinetic mechanism is computationally heavy when coupled with three dimensional numerical simulations. Multidimensional chemistry coordinate mapping (CCM) approach is used to speedup the simulation. CCM involves two-way mapping between CFD cells and a discretized multidimensional thermodynamic space, the so called multidimensional chemistry coordinate space. In the text, the cells in the discretized multidimensional thermodynamic space are called zone to discriminate them from the CFD cells. In this way, the CFD cells which are at the similar thermodynamic state are identified and grouped into a unique zone. The stiff ODEs operates only on the zones containing at least one CFD cell.
Technical Paper

Comparison of Kinetic Mechanisms for Numerical Simulation of Methanol Combustion in DICI Heavy-Duty Engine

The combustion process in a homogeneous charge compression ignition (HCCI) engine is mainly governed by ignition wave propagation. The in-cylinder pressure, heat release rate, and the emission characteristics are thus largely driven by the chemical kinetics of the fuel. As a result, CFD simulation of such combustion process is very sensitive to the employed reaction mechanism, which model the real chemical kinetics of the fuel. In order to perform engine simulation with a range of operating conditions and cylinder-piston geometry for the design and optimization purpose, it is essential to have a chemical kinetic mechanism that is both accurate and computational inexpensive. In this paper, we report on the evaluation of several chemical kinetic mechanisms for methanol combustion, including large mechanisms and skeletal/reduced mechanisms.
Technical Paper

Effects of In-Cylinder Flow Simplifications on Turbulent Mixing at Varying Injection Timings in a Piston Bowl PPC Engine

In computational fluid dynamic simulations of partially premixed combustion engines it is common to find simplifications of the in cylinder flow conditions in order to save computational cost. One common simplification is to start the simulation at the moment of intake valve closing with an assumed initial flow condition, rather than making a full scavenging simulation. Another common simplification is the periodic sector assumption, limiting all sector cuts of the full cylinder to be identical periodic copies of each other. This work studies how such flow simplifications affect the spray injection and in turn the fuel/air mixing at different injection timings. Focus is put on the stratification of fuel concentration and gas temperature due to interaction of the spray, turbulence and piston geometry. The investigated engine setup consists of a light duty engine with a piston bowl and a five-hole injector.
Technical Paper

Numerical Estimation of Asymmetry of In-Cylinder Flow in a Light Duty Direct Injection Engine with Re-Entrant Piston Bowl

Partially premixed combustion (PPC) can be applied to decrease emissions and increase fuel efficiency in direct injection, compression ignition (DICI) combustion engines. PPC is strongly influenced by the mixing of fuel and oxidizer, which for a given fuel is controlled mainly by (a) the fuel injection, (b) the in-cylinder flow, and (c) the geometry and dynamics of the engine. As the injection timings can vary over a wide range in PPC combustion, detailed knowledge of the in-cylinder flow over the whole intake and compression strokes can improve our understanding of PPC combustion. In computational fluid dynamics (CFD) the in-cylinder flow is sometimes simplified and modeled as a solid-body rotation profile at some time prior to injection to produce a realistic flow field at the moment of injection. In real engines, the in-cylinder flow motion is governed by the intake manifold, the valve motion, and the engine geometry.
Technical Paper

A Numerical Study on the Sensitivity of Soot and NOx Formation to the Operating Conditions in Heavy Duty Engines

In this paper, computation fluid dynamics (CFD) simulations are employed to describe the effect of flow parameters on the formation of soot and NOx in a heavy duty engine under low load and high load. The complexity of diesel combustion, specially when soot, NOx and other emissions are of interest, requires using a detailed chemical mechanism to have a correct estimation of temperature and species distribution. In this work, Multiple Representative Interactive Flamelets (MRIF) method is employed to describe the chemical reactions, ignition, flame propagation and emissions in the engine. A phenomenological model for soot formation, including soot nucleation, coagulation and oxidation with O2 and OH is incorporated into the flamelet combustion model. Different strategies for modelling NOx are chosen to take into account the longer time scale for NOx formation. The numerical results are compared with experimental data to show the validity of the model for the cases under study.
Technical Paper

Transition from HCCI to PPC: Investigation of the Effect of Different Injection Timing on Ignition and Combustion Characteristics in an Optical PPC Engine

The partially premixed combustion (PPC) concept is regarded as an intermediate process between the thoroughly mixed Homogeneous charge compression ignition (HCCI) combustion and compression ignition (CI) combustion. It’s a combination of auto-ignition mode, a fuel-rich premixed combustion mode, and a diffusion combustion mode. The concept has both high efficiency and low soot emission due to low heat losses and less stratified fuel and air mixtures compared to conventional diesel CI. The mechanisms behind the combustion process are not yet very well known. This work focuses on the efficiency and the in-cylinder process in terms of fuel distribution and the initial phase of the combustion. More specifically, double injection strategies are compared with single injection strategies to achieve different levels of stratification, ranging from HCCI to PPC like combustion as well as poor (43%) to good (49%) of gross indicated efficiency.
Technical Paper

Impact of Multiple Injection Strategies on Efficiency and Combustion Characteristics in an Optical PPC Engine

Partially premixed combustion (PPC) is a promising way to achieve high thermal efficiency and low emissions, especially by using multiple injection strategies. The mechanisms behind PPC efficiency are still to be explained and explored. In this paper, multiple injections have been used to affect the gross indicated efficiency in an optical PPC engine modified from a Volvo MD13 heavy-duty diesel engine. The aim is both to improve and impair the gross indicated efficiency to understand the differences. The combustion natural luminosity is captured by a high-speed camera, and the distribution of fuel, oxygen, and temperature during the combustion process has been further explored by CFD simulation. The results show that with the right combination of the pilot, main, and post injection the gross indicated efficiency can be improved.
Technical Paper

Large Eddy Simulation of an Ignition Front in a Heavy Duty Partially Premixed Combustion Engine

In partially premixed combustion engines high octane number fuels are injected into the cylinder during the late part of the compression cycle, giving the fuel and oxidizer enough time to mix into a desirable stratified mixture. If ignited by auto-ignition such a gas composition can react in a combustion mode dominated by ignition wave propagation. 3D-CFD modeling of such a combustion mode is challenging as the rate of fuel consumption can be dependent on both mixing history and turbulence acting on the reaction wave. This paper presents a large eddy simulation (LES) study of the effects of stratification in scalar concentration (enthalpy and reactant mass fraction) due to large scale turbulence on the propagation of reaction waves in PPC combustion engines. The studied case is a closed cycle simulation of a single cylinder of a Scania D13 engine running PRF81 (81% iso-octane and 19% n-heptane).