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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.

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.

One in-cylinder strategy for reducing soot emissions from diesel engines while maintaining fuel efficiency is the use of close-coupled post injections, which are small fuel injections that follow the main fuel injection after a short delay. While the in-cylinder mechanisms of diesel combustion with single injections have been studied extensively and are relatively well understood, the in-cylinder mechanisms affecting the performance and efficacy of post injections have not been clearly established. Here, experiments from a single-cylinder heavy-duty optical research engine incorporating close- coupled post injections are modeled with three dimensional (3D) computational fluid dynamics (CFD) simulations. The overall goal is to complement experimental findings with CFD results to gain more insight into the relationship between post-injections and soot. This paper documents the first stage of CFD results for simulating and analyzing the experimental conditions.

Reactivity Controlled Compression Ignition (RCCI) has been shown to be an attractive concept to achieve clean and high efficiency combustion. RCCI can be realized by applying two fuels with different reactivities, e.g., diesel and gasoline. This motivates the idea of using a single low reactivity fuel and direct injection (DI) of the same fuel blended with a small amount of cetane improver to achieve RCCI combustion. In the current study, numerical investigation was conducted to simulate RCCI and HCCI combustion and emissions with various fuels, including gasoline/diesel, iso-butanol/diesel and iso-butanol/iso-butanol+di-tert-butyl peroxide (DTBP) cetane improver. A reduced Primary Reference Fuel (PRF)-iso-butanol-DTBP mechanism was formulated and coupled with the KIVA computational fluid dynamic (CFD) code to predict the combustion and emissions of these fuels under different operating conditions in a heavy duty diesel engine.

This paper is part of a larger body of experimental and computational work devoted to studying the role of close-coupled post injections on soot reduction in a heavy-duty optical engine. It is a continuation of an earlier computational paper. The goals of the current work are to develop new CFD analysis tools and methods and apply them to gain a more in depth understanding of the different in-cylinder environments into which fuel from main- and post-injections are injected and to study how the in-cylinder flow, thermal and chemical fields are transformed between start of injection timings. The engine represented in this computational study is a single-cylinder, direct-injection, heavy-duty, low-swirl engine with optical components. It is based on the Cummins N14, has a cylindrical shaped piston bowl and an eight-hole injector that are both centered on the cylinder axis. The fuel used was n-heptane and the engine operating condition was light load at 1200 RPM.

Due to the upcoming regulations for particulate matter (PM) emissions from GDI engines, a computational fluid dynamic (CFD) modeling study to predict soot emissions (both mass and solid particle number) from gasoline direct injection (GDI) engines was undertaken to provide insights on how and why soot emissions are formed from GDI engines. In this way, better methods may be developed to control or reduce PM emissions from GDI engines. In this paper, the influence of engine operating parameters was examined for a side-mounted fuel injector configuration in a direct-injection spark-ignition (DISI) engine. The present models are able to reasonably predict the influences of the variables of interest compared to available experimental data or literature. For a late injection strategy, effects of the fuel composition, and spray cone angle were investigated with a single-hole injector.

A computational study using multi-dimensional CFD modeling was performed to investigate the effects of physical properties on diesel engine combustion characteristics with bio-diesel fuels. Properties of typical bio-diesel fuels that were either calculated or measured are used in the study and the simulation results are compared with those of conventional diesel fuels. The sensitivity of the computational results to individual physical properties is also investigated, and the results provide information about the desirable characteristics of the blended fuels. The properties considered in the study include liquid density, vapor pressure, surface tension, liquid viscosity, liquid thermal conductivity, liquid specific heat, latent heat, vapor specific heat, vapor diffusion coefficient, vapor viscosity and vapor thermal conductivity. The results show significant effects of the fuel physical properties on ignition delay and burning rates at various engine operating conditions.

In-cylinder flow and combustion processes simulated with the standard k-ε turbulence model and with an alternative model-employing a non-linear, quadratic equation for the turbulent stresses-are contrasted for both motored and fired engine operation at two loads. For motored operation, the differences observed in the predictions of mean flow development are small and do not emerge until expansion. Larger differences are found in the spatial distribution and magnitude of turbulent kinetic energy. The non-linear model generally predicts lower energy levels and larger turbulent time scales. With fuel injection and combustion, significant differences in flow structure and in the spatial distribution of soot are predicted by the two models. The models also predict considerably different combustion efficiencies and NOx emissions.

The objective of this investigation is to optimize light-duty diesel engine operating parameters using Adaptive Injection Strategies (AIS) for optimal fuel preparation. A multi-dimensional Computational Fluid Dynamics (CFD) code with detailed chemistry, the KIVA-CHEMKIN code, is employed and a Multi-Objective Genetic Algorithm (MOGA) is used to study a Two-Stage Combustion (TSC) concept. The combustion process is considered at a light load operating condition (nominal IMEP of 5.5 bar and high speed (2000 rev/min)), and two combustion modes are combined in this concept. The first stage is ideally Homogeneous Charge Compression Ignition (HCCI) combustion and the second stage is diffusion combustion under high temperature and low oxygen concentration conditions. Available experimental data on a 1.9L single-cylinder research engine is used for model validation.

Single-cylinder engine experiments were used to investigate a fuel reactivity controlled compression ignition (RCCI) concept in both light- and heavy-duty engines and comparisons were made between the two engine classes. It was found that with only small changes in the injection parameters, the combustion characteristics of the heavy-duty engine could be adequately reproduced in the light-duty engine. Comparisons of the emissions and performance showed that both engines can simultaneously achieve NOx below 0.05 g/kW-hr, soot below 0.01 g/kW-hr, ringing intensity below 4 MW/m2, and gross indicated efficiencies above 50 per cent. However, it was found that the peak gross indicated efficiency of the baseline light-duty engine was approximately 7 per cent lower than the heavy-duty engine. The energy balances of the two engines were compared and it was found that the largest factor contributing to the lower efficiency of the light-duty engine was increased heat transfer losses.

A multi-component fuel model is used to represent gasoline in computational fluid dynamics (CFD) simulations of a dual-fuel engine that combines premixed gasoline injection with diesel direct injection. The simulations employ detailed-kinetics mechanisms for both the gasoline and diesel surrogate fuels, through use of an advanced and efficient chemistry solver. The objective of this work is to elucidate kinetics effects of dual-fuel usage in Reactivity Controlled Compression Ignition (RCCI) combustion. The model is applied to simulate recent experiments on highly efficient RCCI engines. These engine experiments used a dual-fuel RCCI strategy with port-fuel-injection of gasoline and early-cycle, multiple injections of diesel fuel with a conventional diesel injector. The experiments showed that the US 2010 heavy-duty NO and soot emissions regulations were easily met without aftertreatment, while achieving greater than 50% net indicated thermal efficiency.

In a recent experimental study the in-cylinder spatial distribution of mixture equivalence ratio was quantified under non-combusting conditions by planar laser-induced fluorescence (PLIF) of a fuel tracer (toluene). The measurements were made in a single-cylinder, direct-injection, light-duty diesel engine at conditions matched to an early-injection low-temperature combustion mode. A fuel amount corresponding to a low load (3.0 bar indicated mean effective pressure) operating condition was introduced with a single injection at -23.6° ATDC. The data were acquired during the mixture preparation period from near the start of injection (-22.5° ATDC) until the crank angle where the start of high-temperature heat release normally occurs (-5° ATDC). In the present study the measured in-cylinder images are compared with a fully resolved three-dimensional CFD model, namely KIVA3V-RANS simulations.

Reactivity Controlled Compression Ignition (RCCI) is an engine combustion strategy that produces low NO and PM emissions with high thermal efficiency. Previous RCCI research has been investigated in single-cylinder heavy-duty engines. The current study investigates RCCI operation in a light-duty multi-cylinder engine at 3 operating points. These operating points were chosen to cover a range of conditions seen in the US EPA light-duty FTP test. The operating points were chosen by the Ad Hoc working group to simulate operation in the FTP test. The fueling strategy for the engine experiments consisted of in-cylinder fuel blending using port fuel-injection (PFI) of gasoline and early-cycle, direct-injection (DI) of diesel fuel. At these 3 points, the stock engine configuration is compared to operation with both the original equipment manufacturer (OEM) and custom-machined pistons designed for RCCI operation.

The influence of the constant C3, which multiplies the mean flow divergence term in the model equation for the turbulent kinetic energy dissipation, is examined in a motored diesel engine for three different swirl ratios and three different spatial locations. Predicted temporal histories of turbulence energy and its dissipation are compared with experimentally-derived estimates. A “best-fit” value of C3 = 1.75, with an approximate uncertainty of ±0.3 is found to minimize the error between the model predictions and the experiments. Using this best-fit value, model length scale behavior corresponds well with that of measured velocity-correlation integral scales during compression. During expansion, the model scale grows too rapidly. Restriction of the model assessment to the expansion stroke suggests that C3 = 0.9 is more appropriate during this period.

There is a significant global effort to study low temperature combustion (LTC) as a tool to achieve stringent emission standards with future light duty diesel engines. LTC utilizes high levels of dilution (i.e., EGR > 60% with <10%O2 in the intake charge) to reduce overall combustion temperatures and to lengthen ignition delay, This increased ignition delay provides time for fuel evaporation and reduces in-homogeneities in the reactant mixture, thus reducing NOx formation from local temperature spikes and soot formation from locally rich mixtures. However, as dilution is increased to the limits, HC and CO can significantly increase. Recent research suggests that CO emissions during LTC result from the incomplete combustion of under-mixed fuel and charge gas occurring after the premixed burn period [1, 2]1. The objective of the present work was to increase understanding of the HC/CO emission mechanisms in LTC at part-load.

In previous publications, Singh et al. [1, 2] have shown that direct integration of CFD with a detailed chemistry auto-ignition model (KIVA-CHEMKIN) performs reasonably well for predicting combustion, emissions, and flame structure for stratified diesel engine operation. In this publication, it is shown that the same model fails to predict combustion for partially premixed dual-fuel engines. In general, models that account for chemistry alone, greatly under-predict cylinder pressure. This is shown to be due to the inability of such models to simulate a propagating flame, which is the major source of heat release in partially premixed dual-fuel engines, under certain operating conditions. To extend the range of the existing model, a level-set-based, hybrid, auto-ignition/flame-propagation (KIVA-CHEMKIN-G) model is proposed, validated and applied for both stratified diesel engine and partially premixed dual-fuel engine operation.

Homogeneous or partially premixed charge compression ignition combustion is considered to be an attractive alternative to traditional internal combustion engine operation because of its extremely low levels of pollutant emissions. However, since it is difficult to control the start of combustion timing, direct injection of fuel into the combustion chamber is often used for combustion phasing control, as well as charge preparation. In this paper, numerical simulations of compression ignition processes using gasoline fuel directly injected using a low pressure, hollow cone injector are presented. The multi-dimensional CFD code, KIVA3V, that incorporates various advanced sub-models and is coupled with CHEMKIN for modeling detailed chemistry, was used for the study. Simulation results of the spray behavior at various injection conditions were validated with available experimental data.

The lift-off length plays a significant role in spray combustion as it influences the air entrainment upstream of the lift-off location and hence the soot formation. Accurate prediction of lift-off length thus becomes a prerequisite for accurate soot prediction in lifted flames. In the present study, KIVA-3v coupled with CHEMKIN, as developed at the Engine Research Center (ERC), is used as the CFD model. Experimental data from the Sandia National Labs. is used for validating the model predictions of n-heptane lift-off lengths and soot formation details in a constant volume combustion chamber. It is seen that the model predictions, in terms of lift-off length and soot mass, agree well with the experimental results for low ambient density (14.8 kg/m3) cases with different EGR rates (21% O2 - 8% O2). However, for high density cases (30 kg/m3) with different EGR rates (15% O2 - 8% O2) disagreements were found.

Homogeneous Charge Compression Ignition (HCCI) combustion is being considered as a practical solution for diesel engines due to its high efficiency and low NOx and PM emissions. However, for diesel HCCI operation, there are still several problems that need to be solved. One is the spay-wall impingement issue associated with early injection, and a further problem is the extension of HCCI operation from low load to higher engine loads. In this study, a combination of Adaptive Injection Strategies (AIS) and a Two-Stage Combustion (TSC) strategy are proposed to solve the aforementioned problems. A multi-dimensional Computational Fluid Dynamics (CFD) code with detailed chemistry, the KIVA-CHEMKIN-GA code, was employed in this study, where Genetic Algorithms (GA) were used to optimize heavy-duty diesel engine operating parameters. The TSC concept was applied to optimize the combustion process at high speed (1737 rev/min) and medium load (57% load).