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This paper presents three approaches that can be used for efficient multidimensional simulations of HCCI and DI engine combustion. The first approach uses a newly developed Adaptive Multi-grid Chemistry (AMC) model. The AMC model allows a fine mesh to be used to provide adequate resolution for the spray simulation, while dramatically reducing the number of cells that need to be computed by the chemistry solver. The model has been implemented into the KIVA3v2-CHEMKIN code and it was found that computer time was reduced by a factor of ten for HCCI cases and a factor of three to four for DI cases without losing prediction accuracy. The simulation results were compared with experimental data obtained from a Honda engine operated with n-heptane under HCCI conditions for which directly measured in-cylinder temperature and H2O mole fraction data are available.

Two advanced combustion models have been validated with the KIVA-3V Release 2 code in the context of two-stage combustion in a heavy duty diesel engine. The first model uses CHEMKIN to directly integrate chemistry in each computational cell. The second model accounts for flame propagation with the G-equation, and CHEMKIN predicts autoignition and handles chemistry ahead of and behind the flame front. A Damköhler number criterion was used in flame containing cells to characterize the local mixing status and determine whether heat release and species change should be a result of flame propagation or volumetric heat release. The purpose of this criterion is to make use of physical and chemical time scales to determine the most appropriate chemistry model, depending on the mixture composition and thermodynamic properties of the gas in each computational cell.

A multi-objective genetic algorithm methodology was applied to a heavy-duty diesel engine at three different operating conditions of interest. Separate optimizations were performed over various fuel injection nozzle parameters, piston bowl geometries and swirl ratios (SR). Different beginning of injection (BOI) timings were considered in all optimizations. The objective of the optimizations was to find the best possible fuel economy, NOx, and soot emissions tradeoffs. The input parameter ranges were determined using design of experiment methodology. A non-dominated sorting genetic algorithm II (NSGA II) was used for the optimization. For the optimization of piston bowl geometry, an automated grid generator was used for efficient mesh generation with variable geometry parameters. The KIVA3V release 2 code with improved ERC sub-models was used. The characteristic time combustion (CTC) model was employed to improve computational efficiency.

A continuous multi-component fuel evaporation model has been integrated with an improved G-equation combustion and detailed chemical kinetics model. The integrated code has been successfully used to simulate a gasoline direct injection engine. In the multi-component fuel model, the theory of continuous thermodynamics is used to model the properties and composition of multi-component fuels such as gasoline. In the improved G-equation combustion model a flamelet approach based on the G-equation is used that considers multi-component fuel effects. To precisely calculate the local and instantaneous residual which has a great effect on the laminar flame speed, a “transport equation residual” model is used. A Damkohler number criterion is used to determine the combustion mode in flame containing cells.

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.

The development of a new Nitric Oxide (NOx) reaction mechanism has been conducted by adding species, including hydrogen cyanide (HCN) and the CH radical to a reduced chemistry diesel combustion model. The additional chemical reactions were added to the ERC's reduced 12-step NOx mechanism, which consists of N, NO, N2O, and NO2. The new NOx mechanism was implemented into the KIVA/ERC-CHEMKIN code and was found to be able to predict the experimentally observed trend that the amount of engine-out NOx decreases as engine load is increased, which is not reproduced by the current reduced NOx mechanism. HCN and CH were found to be species that bridge CxHy products and N radicals via the reaction CH+N2→HCN+N under high equivalence ratio conditions, and Zeldovich NO formation is suppressed by the formation of HCN, a species in the Fenimore NO formation pathway. The additional species and reactions were also found to influence the prediction of engine-out soot emissions.

A transport equation residual model incorporating refined G-equation and detailed chemical kinetics combustion models has been developed and implemented in the ERC KIVA-3V release2 code for Gasoline Direct Injection (GDI) engine simulations for better predictions of flame propagation. In the transport equation residual model a fictitious species concept is introduced to account for the residual gases in the cylinder, which have a great effect on the laminar flame speed. The residual gases include CO2, H2O and N2 remaining from the previous engine cycle or introduced using EGR. This pseudo species is described by a transport equation. The transport equation residual model differentiates between CO2 and H2O from the previous engine cycle or EGR and that which is from the combustion products of the current engine cycle.

Improvements to combustion models for modeling spark ignition engines using the G-equation flame propagation model and detailed chemical kinetics have been performed. The improvements include revision of a PRF chemistry mechanism, precise calculation of “primary heat release” based on the sub-grid scale unburned/burnt volumes of flame-containing cells, modeling flame front quenching in highly stratified mixtures, introduction of a Damkohler model for assessing the combustion regime of flame-containing cells, and a better method of modeling the effects of the local residual value on the burning velocity. The validation of the revised PRF mechanism shows that the calculated ignition delay matches shock tube data very well. The improvements to the “primary heat release” model based on the cell unburned/burnt volumes more precisely consider the chemical kinetics heat release in unburned regions, and thus are thought to be physically reasonable.

In the present paper optimization tools are used to recommend low-emission engine combustion chamber designs, spray targeting and swirl ratio levels for a heavy-duty diesel engine operated at high-load. The study identifies aspects of the combustion and pollution formation that are affected by mixing processes, and offers guidance for better matching of the piston geometry with the spray plume geometry for enhanced mixing. By coupling a GA (genetic algorithm) with the KIVA-CFD code, and also by utilizing an automated grid generation technique, multi-objective optimizations with goals of low emissions and fuel economy were achieved. Three different multi-objective genetic algorithms including a Micro-Genetic Algorithm (μGA), a Nondominated Sorting Genetic Algorithm II (NSGA II) and an Adaptive Range Multi-Objective Genetic Algorithm (ARMOGA) were compared for conducting the optimization under the same conditions.

In the present work the three-dimensional KIVA CFD code was used to simulate the combustion process in a HSDI diesel engine. State-of-the-art models, including the KH-RT spray breakup model, the RNG k-ε turbulence model, and a n-heptane reduced chemistry including reduced GRI NOx mechanism were used. The performances of two combustion models, KIVA-CHEMKIN and GAMUT (KIVA-CHEMKIN-G), coupled with 2-step and multi-step phenomenological soot models were compared. The numerical results were compared with available experimental data obtained from an optically accessible HSDI engine and good agreement was obtained. To assess the effects of the in-cylinder flow field on combustion and emissions, off-centered swirl flows were also considered. In these studies, the swirl center was initialized at different positions in the chamber for different cases to simulate the effects of different intake flow arrangements.

In the present study a reduced chemical reaction mechanism for biodiesel surrogate fuel was developed and validated for multi-dimensional engine combustion simulations. An existing detailed methyl butanoate mechanism that contained 264 species and 1219 reactions was chosen to represent the oxygenated portion of the fuel. The reduction process included flux analysis, ignition sensitivity analysis, and optimization of reaction rate constants under constant volume conditions. The current reduced mechanism consists of 41 species and 150 reactions and gives predictions in excellent agreement with those of the comprehensive mechanism. In order to validate the mechanism under biodiesel-fueled engine conditions, it was combined with another skeletal mechanism for n-heptane oxidation. This combined reaction mechanism can be used to adjust the energy content of the fuel, and account for diesel/biodiesel blend engine simulations.

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.

Low-temperature combustion (LTC) strategies for diesel engines are of increasing interest because of their potential to significantly reduce particulate matter (PM) and nitrogen oxide (NOx) emissions. LTC with late fuel injection further offers the benefit of combustion phasing control because ignition is closely coupled to the fuel injection event. But with a short ignition-delay, fuel jet mixing processes must be rapid to achieve adequate premixing before ignition. In the current study, mixing and pollutant formation of late-injection LTC are studied in a single-cylinder, direct-injection, optically accessible heavy-duty diesel engine using three laser-based imaging diagnostics. Simultaneous planar laser-induced fluorescence of the hydroxyl radical (OH) and combined formaldehyde (H2CO) and polycyclic aromatic hydrocarbons (PAH) are compared with vapor-fuel concentration measurements from a non-combusting condition.

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 considered to be an attractive alternative to traditional internal combustion engine operation because of its extremely low levels of pollutant emissions. However, there are several difficulties that must be overcome for HCCI practical use, such as difficult ignition timing controllability. Indeed, too early or too late ignition can occur with obvious drawbacks. In addition, the increase in cyclic variation caused by the ignition timing uncertainty can lead to uneven engine operation. As a way to solve the combustion phasing control problem, dual-fuel combustion has been proposed. It consists of a diesel pilot injection used to ignite a pre-mixture of gasoline (or other high octane fuel) and air. Although dual-fuel combustion is an attractive way to achieve controllable HCCI operation, few studies are available to help the understanding of its in-cylinder combustion behavior.

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).

A three-dimensional homogeneous equilibrium model (HEM) has been developed and implemented into an engine computational fluid dynamics (CFD) code KIVA-3V. The model was applied to simulate cavitating flow within injector nozzle passages. The effects of nozzle passage geometry and injection conditions on the development of cavitation zones and the nozzle discharge coefficient were investigated. Specifically, the effects of nozzle length (L/D ratio), nozzle inlet radius (R/D ratio) and K or KS factor (nozzle passage convergence) were simulated, and the effects of injection and chamber pressures, and time-varying injection pressure were also investigated. These effects are well captured by the nozzle flow model, and the predicted trends are consistent with those from experimental observations and theoretical analyses.

Engine design is a time consuming process in which many costly experimental tests are usually conducted. With increasing prediction ability of engine simulation tools, engine design aided by CFD software is being given more attention by both industry and academia. It is also of much interest to be able to use design information gained from an existing engine design of one size in the design of engines of other sizes to reduce design time and costs. Therefore it is important to study size-scaling relationships for engines over wide range of operating conditions. This paper presents CFD studies conducted for two production diesel engines - a light-duty GM-Fiat engine (0.5L displacement) and a heavy-duty Caterpillar engine (2.5L displacement). Previously developed scaling arguments, including an equal spray penetration scaling model and an extended, equal flame lift-off length scaling model were employed to explore the parametric scaling connections between the two engines.

Lagrangian-Droplet and Eulerian-Fluid (LDEF) based spray models are widely used in engine and combustion system computations. Numerical grid and time-step-dependencies of Discrete Droplet Lagrangian spray models have been identified by previous researchers [1, 2]. The two main sources of grid-dependency are due to errors in predicting the droplet-gas relative velocity, and errors in describing droplet-droplet collision and coalescence processes. For reducing grid-dependency due to the relative velocity effects, results from gas jet theory are introduced along with a Lagrangian collision model [1, 3] and applied to model diesel sprays. The improved spray model is implemented in the engine simulation code KIVA-3V [4] and is tested under various conditions, including constant volume chambers and various engine geometries with vaporizing and combusting sprays with detailed chemistry.