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Surface film formation is an important phenomenon during spray impingement in a combustion chamber. The film that forms on the chamber walls and piston bowl produces soot post-combustion. While some droplets stick to the wall surface, others splash and interact with the gas present inside the combustion chamber. Accurate prediction of both the film thickness and splashed mass is crucial for surface film model development since it leads to a precise estimation of the amount of soot and other exhaust gases formed. This information could guide future studies aimed at a comprehensive understanding of the combustion process and might enable development of engines with reduced emissions. Dynamic structure Large Eddy Simulation (LES) turbulence model implemented for in-cylinder sprays [1] has shown to predict the flow structure of a spray more accurately than the Reynolds-averaged Navier-Stokes turbulence model.

In most large-eddy simulation (LES) applications to two-phase engine flows, the liquid-air interactions need to be accounted for as source terms in the respective governing equations. Accurate calculation of these source terms requires the relative velocity “seen” by liquid droplets as they move across the flow, which generally needs to be estimated using a turbulent dispersion model. Turbulent dispersion modeling in LES is very scarce in the literature. In most studies on engine spray flows, sub-grid scale (SGS) models for the turbulent dispersion still follow the same stochastic approach originally proposed for Reynolds-averaged Navier-Stokes (RANS). In this study, an SGS dispersion model is formulated in which the instantaneous gas velocity is decomposed into a deterministic part and a stochastic part. The deterministic part is reconstructed using the approximate deconvolution method (ADM), in which the large-scale flow can be readily calculated.

Although turbocharging can extend the high load limit of low temperature combustion (LTC) strategies such as reactivity controlled compression ignition (RCCI), the low exhaust enthalpy prevalent in these strategies necessitates the use of high exhaust pressures for improving turbocharger efficiency, causing high pumping losses and poor fuel economy. To mitigate these pumping losses, the divided exhaust period (DEP) concept is proposed. In this concept, the exhaust gas is directed to two separate manifolds: the blowdown manifold which is connected to the turbocharger and the scavenging manifold that bypasses the turbocharger. By separately actuating the exhaust valves using variable valve actuation, the exhaust flow is split between two manifolds, thereby reducing the overall engine backpressure and lowering pumping losses. In this paper, results from zero-dimensional and one-dimensional simulations of a multicylinder RCCI light-duty engine equipped with DEP are presented.

A swept-volume method of calculating the volume swept by the flame during each time step is developed and used to improve the calculation of fuel reaction rates. The improved reaction rates have been applied to the ignition model and coupled with the level set G-equation combustion model. In the ignition model, a single initial kernel is formed after which the kernel is convected by the gas flow and its growth rate is determined by the flame speed and thermal expansion due to the energy transfer from the electrical circuit. The predicted ignition kernel size was compared with the available experimental data and good agreements were achieved. Once the ignition kernel reaches a size when the fully turbulent flame is developed, the G-equation model is switched on to track the mean turbulent flame front propagation.

Natural gas is a promising alternative fuel for internal combustion engines due to its rich reserves and low price, as well as good physical and chemical properties. Its low carbon structure and high octane number are beneficial for CO2 reduction and knock mitigation, respectively. Diesel and natural gas dual fuel combustion is a viable pathway to utilize natural gas in diesel engines. To achieve high efficiency and low emission combustion in a practical diesel engine over a wide range of operating conditions, understanding the performance responses to engine system parameter variations is needed. The controllability of two combustion strategies, diesel pilot ignition (DPI) and single injection reactivity controlled compression ignition (RCCI), were evaluated using the multi-dimension CFD simulation in this paper.

In this paper, large eddy simulation (LES) coupled with two uncertainty quantification (UQ) methods, namely latin-hypercube sampling (LHS) and polynomial chaos expansion (PCE), have been used to quantify the effects of model parameters and spray boundary conditions on diesel and gasoline spray simulations. Evaporating, non-reacting spray data was used to compare penetration, mixture fraction and spray probability contour. Two different sets of four uncertain variables were used for diesel and gasoline sprays, respectively. UQ results showed good agreement between experiments and predictions. UQ statistics indicated that discharge coefficient has stronger impact on gasoline than diesel sprays, and spray cone angle is important for vapor penetration of both types of sprays. Additionally, examination of the gasoline spray characteristics showed that plume-to-plume interaction and nozzle dribble are important phenomena that need to be considered in high-fidelity gasoline spray simulations.

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.

Three time integration schemes and four finite volume interpolation schemes for the convection term in momentum equation were tested under turbulent planar gas jet and Sandia non-reacting vaporizing Spray-H cases. The three time integration schemes are the first-order Euler implicit scheme, the second-order backward scheme, and the second-order Crank-Nicolson scheme. The four spatial interpolation schemes are cubic central, linear central, upwind, and vanLeer schemes. Velocity magnitude contour, centerline and radial mean velocity and Reynolds stress profiles for the planar turbulent gas jet case, and fuel vapor contour and liquid and vapor penetrations for the Diesel spray case predicted by the different numerical schemes were compared. The sensitivity of the numerical schemes to mesh resolution was also investigated. The non-viscosity based dynamic structure subgrid model was used. The numerical tool used in this study was OpenFOAM.

A novel 2-zone combustion chamber concept (patent pending) was developed using multi-dimensional modeling. At minimum volume, an axial projection in the piston divides the volume into distinct zones joined by a communication channel. The projection provides a means to control the mixture formation and combustion phasing within each zone. The novel combustion system was applied to reactivity controlled compression ignition (RCCI) combustion in both light-duty and heavy-duty diesel engines. Results from the study of an 8.8 bar BMEP, 2600 RPM operating condition are presented for the light-duty engine. The results from the heavy-duty engine are at an 18.1 bar BMEP, 1200 RPM operating condition. The effect of several major design features were investigated including the volume split between the inner and outer combustion chamber volumes, the clearance (squish) height, and the top ring land (crevice) volume.

While Low Temperature Combustion (LTC) strategies such as Reactivity Controlled Compression Ignition (RCCI) exhibit high thermal efficiency and produce low NOx and soot emissions, low load operation is still a significant challenge due to high unburnt hydrocarbon (UHC) and carbon monoxide (CO) emissions, which occur as a result of poor combustion efficiencies at these operating points. Furthermore, the exhaust gas temperatures are insufficient to light-off the Diesel Oxidation Catalyst (DOC), thereby resulting in poor UHC and CO conversion efficiencies by the aftertreatment system. To achieve exhaust gas temperature values sufficient for DOC light-off, combustion can be appropriately phased by changing the ratio of gasoline to diesel in the cylinder, or by burning additional fuel injected during the expansion stroke through post-injection.

Knock in a Rotax-914 engine was modeled and investigated using an improved version of the KIVA-3V code with a G-equation combustion model, together with a reduced chemical kinetics model. The ERC-PRF mechanism with 47 species and 132 reactions [1] was adopted to model the end gas auto-ignition in front of the flame front. The model was validated by a Caterpillar SI engine and a Rotax-914 engine in different operating conditions. The simulation results agree well with available experimental results. A new engineering quantified knock criterion based on chemical mechanism was then proposed. Hydroperoxyl radical (HO2) shows obvious accumulation before auto-ignition and a sudden decrease after auto-ignition. These properties are considered to be a good capability for HO2 to investigate engine knock problems.

The paper reports the application of Proper Orthogonal Decomposition (POD) to LES calculations for the analysis of combustion and knock tendency in a highly downsized turbocharged GDI engine that is currently under production. In order to qualitatively match the cyclic variability of the combustion process, Large-Eddy Simulation (LES) of the closed-valve portion of the cycle is used with cycle-dependent initial conditions from a previous multi-cycle analysis [1, 2, 3]. Detailed chemical modelling of fuel's auto-ignition quality is considered through an ad-hoc implemented look-up table approach, as a trade-off between the need for a reasonable representation of the chemistry and that of limiting the computational cost of the LES simulations. Experimental tests were conducted operating the engine at knock-limited spark advance (KLSA) and the proposed knock model was previously validated for such engine setup [3].

The paper reports the application of a look-up table approach within a LES combustion modelling framework for the prediction of knock limit in a highly downsized turbocharged DISI engine. During experimental investigations at the engine test bed, high cycle-to-cycle variability was detected even for relatively stable peak power / full load operations of the engine, where knock onset severely limited the overall engine performance. In order to overcome the excessive computational cost of a direct chemical solution within a LES framework, the use of look-up tables for auto-ignition modelling perfectly fits with the strict mesh requirements of a LES simulation, with an acceptable approximation of the actual chemical kinetics. The model here presented is a totally stand-alone tool for autoignition analysis integrated with look-up table reading from detailed chemical kinetic schemes for gasoline.

In this work non-reacting spray simulations are performed using two Computational Fluid Dynamic (CFD) codes, KIVA and OpenFoam. The metric used is the liquid tip penetration which is compared with experimental data from the Engine Combustion Network at Sandia National Laboratories. Some important spray sub-models, available in KIVA, are implemented in OpenFOAM so that the two codes have more common models. In addition, model coefficients and computations cells used in the simulations are the same in both codes. The differences in spray source terms formulations and other spray sub models between the codes and their effect on liquid penetration are discussed.

In this work the modeling aspects of fuel vaporization are studied. To start with, the effects of vaporization model on engine simulations are studied. This is done by using two different fuel surrogates. Next a set of non-reacting spray simulations were performed under different ambient and operating conditions and for two different fuels. This was done for spray model validation and to look at the effect of vaporization model on liquid penetration length. Following an observed discrepancy in one of the spray cases, effect of ambient temperature on liquid length, two sensitivity analyses were performed. These analyses take into account the effects of each spray-sub model on vaporization and effects of spray breakup constants on liquid penetration. Using the results from the sensitivity analyses and linearized stability theory an empirical correction factor was developed to correct the spray behavior at low ambient temperatures.

Using non-viscosity dynamic structure Large Eddy Simulations (LES) turbulence model, spray=induced turbulence is investigated on a number of different Computational Fluid Dynamics (CFD) grids of varying mesh sizes (from 0.5 to 2 mm mesh). Turbulent flow is induced inside a quiescent chamber by liquid fuel spray and then left to decay after end of injection by virtue of its molecular viscosity and turbulent dissipation. Coherent structures (CS) of this turbulent flow are constructed and visualized using λ2 definition. Using CS, analysis is performed on the turbulent flow around the liquid spray jet. These CS from LES are then compared against the results from RANS calculations as well. The visualization of CS helps to explain the mechanism of fuel-air mixing obtained from LES results and its difference with RANS calculations.

A novel algebraic similarity model for subgrid scalar dissipation rate has been developed as part of the Large Eddy Simulation (LES) package KIVA3V-LES for diesel engine study. The model is proposed from an a priori study using Direct Numerical Simulation (DNS) of forced isotropic turbulence. In the a posteriori test, fully resolved turbulent passive scalar field measurements are used to validate the model in actual engine flows. For reason of the length limit by SAE and the specific interest in engine applications, only a prior test and a posteriori test in engine flows are included in this paper. A posteriori tests in isotropic cube flow, turbulent round jet and flame cases will be presented in separate papers. An engine LES simulation of multi consecutive cycles was performed in this study.

Diesel engine combustion is simulated using Large Eddy Simulation (LES) with a multi-mode combustion (MMC) model. The MMC model is based on the combination of chemical kinetics, chemical equilibrium, and quasi-steady flamelet calculations in different local combustion regimes. The local combustion regime is identified by two combustion indices based on the local temperature and the extent of mixture homogeneity. The LES turbulence model uses the dynamic structure model (DSM) for sub-grid stresses. A new spray model in the LES context is used, and the Reynolds-averaged Navier-Stokes (RANS) based wall model is retained with the LES derived scales. These models are incorporated in the KIVA3V-ERC-Release 2 code for engine combustion simulations. A wide range of diesel engine operating conditions were chosen to validate the combustion model.

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.

Fundamental simulations in a quiescent cell under adiabatic conditions were made to understand the effect of temperature, equivalence ratio and the components of the recirculated exhaust gas, viz., CO2 and H2O, on the combustion of n-Heptane. Simulations were made in single phase in which evaporated n-Heptane was uniformly distributed in the domain. Computations were made for two different temperatures and four different EGR levels. CO2 or H2O or N2was used as EGR. It was found that the initiation of the main combustion process was primarily determined by two competing factors, i.e., the amount of initial OH concentration in the domain and the specific heat of the mixture. Further, initial OH concentration can be controlled by the manipulating the ambient temperature in the domain, and the specific heat capacity of the mixture via the mixture composition. In addition to these, the pre combustion and the subsequent post combustion can also be controlled via the equivalence ratio.