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This paper investigates flow and combustion in a full-cycle simulation of a four-stroke, three-valve HCCI engine by visualizing the flow with pathlines. Pathlines trace massless particles in a transient flow field. In addition to visualization, pathlines are used here to trace the history, or evolution, of flow fields and species. In this study evolution is followed from the intake port through combustion. Pathline analysis follows packets of intake charge in time and space from induction through combustion. The local scalar fields traversed by the individual packets in terms of velocity magnitude, turbulence, species concentration and temperatures are extracted from the simulation results. The results show how the intake event establishes local chemical and thermal environments in-cylinder and how the species respond (chemically react) to the local field.

The purpose of this research is to develop a prediction technique that can be used in the development of port fuel-injection (hereinafter called PFI) gasoline engines, especially for general purpose small utility engines. Utility engines have two contradictory desirable aspects: compactness and high-power at wide open throttle. Therefore, applying the port fuel injector to utility engines presents a unique intractableness that is different from application to automobiles or motorcycles. At the condition of wide open throttle, a large amount of fuel is required to output high power, and injected fuel is deposited as a wall film on the intake port wall. Despite the fuel rich condition, emissions are required to be kept under a certain level. Thus, it is significant to understand the wall film phenomenon and control film thickness in the intake ports.

A global optimization method has been developed for an engine simulation code and utilized in the search of optimal fuel injection strategies. This method uses a Lagrange interpolation function which interpolates engine output data generated at the vertices and the intermediate points of the input parameters. This interpolation function is then used to find a global minimum over the entire parameter set, which in turn becomes the starting point of a CFD-based optimization. The CFD optimization is based on a steepest descent method with an adaptive cost function, where the line searches are performed with a fast-converging backtracking algorithm. The adaptive cost function is based on the penalty method, where the penalty coefficient is increased after every line search. The parameter space is normalized and, thus, the optimization occurs over the unit cube in higher-dimensional space.

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.

Multi-zone CFD simulations with detailed kinetics were used to model iso-octane HCCI experiments performed on a single-cylinder research engine. The modeling goals were to validate the method (multi-zone combustion modeling) and the reaction mechanism (LLNL 857 species iso-octane) by comparing model results to detailed exhaust speciation data, which was obtained with gas chromatography. The model is compared to experiments run at 1200 RPM and 1.35 bar boost pressure over an equivalence ratio range from 0.08 to 0.28. Fuel was introduced far upstream to ensure fuel and air homogeneity prior to entering the 13.8:1 compression ratio, shallow-bowl combustion chamber of this 4-stroke engine. The CFD grid incorporated a very detailed representation of the crevices, including the top-land ring crevice and head-gasket crevice. The ring crevice is resolved all the way into the ring pocket volume. The detailed grid was required to capture regions where emission species are formed and retained.

Transient engine operations are modeled and simulated with a 1-D code (GT Power) using heat release and emission data computed by a 3-D CFD code (Kiva3). During each iteration step of a transient engine simulation, the 1-D code utilizes the 3-D data to interpolate the values for heat release and emissions. The 3-D CFD computations were performed for the compression and combustion stroke of strategically chosen engine operating points considering engine speed, torque and excess air. The 3-D inlet conditions were obtained from the 1-D code, which utilized 3-D heat release data from the previous 1-D unsteady computations. In most cases, only two different sets of 3-D input data are needed to interpolate the transient phase between two engine operating points. This keeps the computation time at a reasonable level. The results are demonstrated on the load response of a generator which is driven by a medium-speed diesel engine.

Predictive models of soot formation during Diesel combustion are of great practical interest, particularly in light of newly proposed strict regulations on particulate emissions. A modified version of the phenomenological model of soot formation developed previously has been implemented in KIVA-II CFD code. The model includes major generic processes involved in soot formation during combustion, i.e., formation of soot precursors, formation of surface growth species, soot particle nucleation, coagulation, surface growth and oxidation. The formulation of the model within the KIVA-II is fully coupled with the mass and energy balances in the system. The model performance has been tested by comparison with the results of optical in-cylinder soot measurements in a single cylinder Cummins NH Diesel engine. The predicted soot volume fraction, number density and particle size agree reasonably well with the experimental data.

Neural networks are useful tools for optimization studies since they are very fast, so that while capturing the accuracy of multi-dimensional CFD calculations or experimental data, they can be run numerous times as required by many optimization techniques. This paper describes how a set of neural networks trained on a multi-dimensional CFD code to predict pressure, temperature, heat flux, torque and emissions, have been used by a genetic algorithm in combination with a hill-climbing type algorithm to optimize operating parameters of a diesel engine over the entire speed-torque map of the engine. The optimized parameters are mass of fuel injected per cycle, shape of the injection profile for dual split injection, start of injection, EGR level and boost pressure. These have been optimized for minimum emissions. Another set of neural networks have been trained to predict the optimized parameters, based on the speed-torque point of the engine.

Neural networks have been used for engine computations in the recent past. One reason for using neural networks is to capture the accuracy of multi-dimensional CFD calculations or experimental data while saving computational time, so that system simulations can be performed within a reasonable time frame. This paper describes three methods to improve upon neural network predictions. Improvement is demonstrated for in-cylinder pressure predictions in particular. The first method incorporates a physical combustion model within the transfer function of the neural network, so that the network predictions incorporate physical relationships as well as mathematical models to fit the data. The second method shows how partitioning the data into different regimes based on different physical processes, and training different networks for different regimes, improves the accuracy of predictions.

The present study investigated HCCI combustion in a heavy-duty diesel engine both experimentally and numerically. The engine was equipped with a hollow-cone pressure-swirl injector using gasoline direct injection. Characteristics of HCCI combustion were obtained by very early injection with a heated intake charge. Experimental results showed an increase in NOx emission and a decrease in UHC as the injection timing was retarded. It was also found that optimization can be achieved by controlling the intake temperature together with the start-of-injection timing. The experiments were modeled by using an engine CFD code with detailed chemistry. The CHEMKIN code was implemented into KIVA-3V such that the chemistry and flow solutions were coupled. The model predicted ignition timing, cylinder pressure, and heat release rates reasonably well. The NOx emissions were found to increase as the injection timing was retarded, in agreement with experimental results.

Diesel engine in-cylinder combustion processes have been studied using computational models with particular attention to spray development, vaporization, fuel/air mixture formation and combustion. A thermodynamic zero-dimensional cycle analysis program was used to determine initial conditions for the multidimensional calculations. A modified version of the time-dependent, three-dimensional computational fluid dynamics code KIVA-II was used for the computations, with a detailed treatment for the spray calculations and a simplified model for combustion. The calculations were used to obtain an understanding of the potential predictive capabilities of the models. It was found that there is a strong sensitivity of the results to numerical grid resolution. With proper grid resolution, the calculations were found to reproduce experimental data for non- vaporizing and vaporizing sprays. However, for vaporizing sprays with combustion, extremely fine grids are needed.

The simulation of combustion chemistry in internal combustion engines is challenging due to the need to include detailed reaction mechanisms to describe the engine physics. Computational times needed for coupling full chemistry to CFD simulations are still too computationally demanding, even when distributed computer systems are exploited. For these reasons the present paper proposes a time scale separation approach for the integration of the chemistry differential equations and applies it in an engine CFD code. The time scale separation is achieved through the estimation of a characteristic time for each of the species and the introduction of a sampling timestep, wherein the chemistry is subcycled during the overall integration. This allows explicit integration of the system to be carried out, and the step size is governed by tolerance requirements.

In a recent study, quantitative measurements were presented of in-cylinder spatial distributions of mixture equivalence ratio in a single-cylinder light-duty optical diesel engine, operated with a non-reactive mixture at conditions similar to an early injection low-temperature combustion mode. In the experiments a planar laser-induced fluorescence (PLIF) methodology was used to obtain local mixture equivalence ratio values based on a diesel fuel surrogate (75% n-heptane, 25% iso-octane), with a small fraction of toluene as fluorescing tracer (0.5% by mass). Significant changes in the mixture's structure and composition at the walls were observed due to increased charge motion at high swirl and injection pressure levels. This suggested a non-negligible impact on wall heat transfer and, ultimately, on efficiency and engine-out emissions.

An experimental study was conducted using the dumping technique (total cylinder sampling) to produce cylinder mass-averaged nitric oxide histories. Data were taken using a four stroke diesel research engine employing a quiescent chamber, high pressure direct injection fuel system, and simulated turbocharging. Two fuels were used to determine fuel cetane number effects. Two loads were run, one at an equivalence ratio of 0.5 and the other at a ratio of 0.3. The engine speed was held constant at 1500 rpm. Under the turbocharged and retarded timing conditions of this study, nitric oxide was produced up to the point of about 85% mass burned. Two different models were used to simulate the engine run conditions: the phenomenological Hiroyasu spray-combustion model, and the three dimensional, U.W.-ERC modified KIVA-II computational fluid dynamic code. Both of the models predicted the correct nitric oxide trend.

Variations in the in cylinder flow field which result from differences in the intake flow are known to have important effects on the performance and emissions behavior of diesel engines. The intake flow and combustion in a heavy duty DI diesel engine with a dual valve port have been simulated using the computational fluid dynamics code KIVA-3. Variation of the in-cylinder flow field has been achieved by varying the intake valve timing. Variations in the in-cylinder flow, including a range of length scales, degrees of inhomogeneity in a number of scalar and vector quantities, and the persistence of various flow structures, are compared, and their significance to combustion and emissions parameters are assessed. The interaction of fuel spray parameters, particularly spray-wall interaction with structures present in the flow field are evaluated.

Progress on the development and validation of a CFD model for diesel engine combustion and flow is described. A modified version of the KIVA code is used for the computations, with improved submodels for liquid breakup, drop distortion and drag, spray/wall impingement with rebounding, sliding and breaking-up drops, wall heat transfer with unsteadiness and compressibility, multistep kinetics ignition and laminar-turbulent characteristic time combustion models, Zeldovich NOx formation, and soot formation with Nagle Strickland-Constable oxidation. The code also considers piston-cylinder-liner crevice flows and allows computations of the intake flow process in the realistic engine geometry with two moving intake valves. Significant progress has been made using a modified RNG k-ε turbulence model, and a multicomponent fuel vaporization model and a flamelet combustion model have been implemented.

Previous studies have shown the importance of the in-cylinder flow field which exists prior to fuel injection on performance and emissions behavior of direct injected (DI) diesel engines. Key parameters in the flow field are the turbulence level and the resolved structures, such as swirl and tumble flow. These characteristics are known to have significant effects on the fuel vaporization, droplet break-up, and fuel-air mixing. The relative importance of these effects is investigated through simulation of injection into a stirred, heated, constant volume combustion bomb, using the computational fluid dynamics codes KIVA-3 [9] and KIVA-II [10]. Initial conditions for these simulations are based on in-cylinder conditions which exist in a heavy duty DI diesel engine immediately prior to fuel injection.

A, three-dimensional CFD code, based on the KIVA code, is used to explore alternatives to conventional DI diesel engine designs for reducing NOx and soot emissions without sacrificing engine performance. The effects of combustion chamber design and fuel spray orientation are investigated using a new proposed GAMMA engine concept, and two new multiple injector combustion system (MICS) designs which utilize multiple injectors to increase gas motion and enhance fuel/air mixing in the combustion chamber. From these computational studies, it is found that both soot and nitrous oxide emissions can be significantly reduced without the need for more conventional emission control strategies such as EGR or ultra high injection pressure. The results suggest that CFD models can be a useful tool not only for understanding combustion and emissions production, but also for investigating new design concepts.

Opposed-piston 2-stroke (OP-2S) engines have the potential to achieve higher thermal efficiency than a typical diesel engine. However, the uniflow scavenging process is difficult to control over a wide range of speeds and loads. Scavenging performance is highly sensitive to pressure dynamics, port timings, and port design. This study proposes an analysis of the effects of port vane angle on the scavenging performance of an opposed-piston 2-stroke engine via simulation. A CFD model of a three-cylinder opposed-piston 2-stroke was developed and validated against experimental data collected by Achates Power Inc. One of the three cylinders was then isolated in a new model and simulated using cycle-averaged and cylinder-averaged initial/boundary conditions. This isolated cylinder model was used to efficiently sweep port angles from 12 degrees to 29 degrees at different pressure ratios.

In this work we studied the effects of piston bowl design on combustion in a small-bore direct-injection diesel engine. Two bowl designs were compared: a conventional, omega-shaped bowl and a stepped-lip piston bowl. Experiments were carried out in the Sandia single-cylinder optical engine facility, with a medium-load, mild-boosted operating condition featuring a pilot+main injection strategy. CFD simulations were carried out with the FRESCO platform featuring full-geometric body-fitted mesh modeling of the engine and were validated against measured in-cylinder performance as well as soot natural luminosity images. Differences in combustion development were studied using the simulation results, and sensitivities to in-cylinder flow field (swirl ratio) and injection rate parameters were also analyzed.