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The Rate-Controlled Constrained-Equilibrium (RCCE) method is applied to the numerical solution of methane-air combustion. The RCCE method offers a reduction in computation time for complex chemically reacting systems because the rate equations for a small number of slowly evolving constraints need to be solved. The current work focuses on presenting both the principles of the RCCE method and its application to methane-air Homogeneous Charge Compression Ignition (HCCI) combustion. This work takes into consideration some of the previously unexplored numerical issues associated with solving the RCCE equation set. Application of the RCCE method is first demonstrated in constant and variable volume adiabatic environments and compared to the integration of the full set of kinetic rate equations for each species. Results presented here show a reduction in computational time.

A comprehensive system level modeling approach is used to understand the effects of the various physical actuators during diesel HCCI transients. Control concepts during transient operations are simulated using a set of actuators suitable for combustion control in diesel HCCI engines (intake valve actuation, injection timing, cooled EGR, intake boost pressure and droplet size). The impact of these actuating techniques on the overall engine performance is quantified by investigating the amount of actuation required, timing of actuation and the use of a combination of actuators. Combined actuation improved actuation space that can be used to phase combustion timing better and in extending the operating range. The results from transient simulations indicate that diesel HCCI operation would benefit from the combined actuation of intake valve closure, injection timing, boost and cooled EGR.

An approach to accurately capture overall behavior in a system level model of DI Diesel HCCI engine operation is presented. The modeling methodology is an improvement over the previous effort [36], where a multi-zone model with detailed chemical kinetics was coupled with an engine cycle simulation code. This multi-zone technique was found to be inadequate in capturing the fuel spray dynamics and its impact on mixing. An improved methodology is presented in this paper that can be used to model fully and partially premixed charge compression ignition engines. A Computational Fluid Dynamics (CFD) driven model is used where the effects of fuel injection, spray evolution, evaporation, and turbulent mixing are considered. The modeling approach is based on the premise that once the initial spray dynamics are correctly captured, the overall engine predictions during the combustion process can be captured with good accuracy.

The flow through diesel fuel injector nozzles is important because of the effects on the spray and the atomization process. Modeling this nozzle flow is complicated by the presence of cavitation inside the nozzles. This investigation uses a two-dimensional, two-phase, transient model of cavitating nozzle flow to observe the individual effects of several nozzle parameters. The injection pressure is varied, as well as several geometric parameters. Results are presented for a range of rounded inlets, from r/D of 1/40 to 1/4. Similarly, results for a range of L/D from 2 to 8 are presented. Finally, the angle of the corner is varied from 50° to 150°. An axisymmetric injector tip is also simulated in order to observe the effects of upstream geometry on the nozzle flow. The injector tip calculations show that the upstream geometry has a small influence on the nozzle flow. The results demonstrate the model's ability to predict cavitating nozzle flow in several different geometries.

To reproduce wall quenching phenomena using 3D-CFD, a wall quenching model was constructed based on the Peclet number. The model was further integrated with the flame propagation model. Combustion analysis showed that that a large amount of unburned hydrocarbons (UHCs) remained in the piston clevis and small gaps. Furthermore, the model was capable of predicting the increase in UHC emissions when there was a delay in the ignition time. The flame front cells were plotted on Peters' premixed turbulent combustion diagram to identify transitions in the combustion states. It was found that the flame surface transitioned from corrugated flamelets through thin reaction zones to wrinkled flamelets and further to laminar flamelets, which led to wall quenching. The turbulent Reynolds number (Re) decreased rapidly due to the increase in laminar flame speed and flame thickness and the decrease in turbulent intensity and turbulent scale.

A turbulent combustion model based on the coherent flamelet model was developed in this study and applied to diesel engines. The combustion was modeled in three distinct but overlapping phases: low temperature ignition kinetics using the Shell ignition model, high temperature premixed burn using a single step Arrhenius equation, and the flamelet based diffusion burn. Two criteria for transitions based on temperature, heat release rate, and the local Damköhler number were developed for the progression of combustion between each of these phases. The model was implemented into the computational computer code KIVA-II. Previous experiments on a Caterpillar model E 300, # 1Y0540 engine, a Tacom LABECO research engine, and a single cylinder version of a Cummins N14 production engine were used to validate the cylinder averaged predictions of the model.

A general combustion model, in the context of large eddy simulations, was developed to simulate the full range of combustion in conventional diesel-type and HCCI-type diesels. The combustion model consisted of a Chemkin sub-model and an Extended Flamelet Time Scale (EFTS) sub-model. Specifically, Chemkin was used to simulate auto-ignition process. In the post-ignition phase, the combustion model was switched to EFTS. In the EFTS sub-model, combustion was assumed to be a combination of two elementary combustion modes: homogeneous combustion and flamelet combustion. The combustion index acted as a weighting factor blending the contributions from these two modes. The Chemkin sub-model neglected the subgrid scale turbulence-chemistry interactions whereas the EFTS model took them into account through a presumed PDF approach. The model was used to simulate an early injection mode of a Cummins DI diesel engine and a mode of a Caterpillar DI diesel engine.

Two turbulent combustion modeling approaches, which were large eddy simulations in conjunction with detailed kinetics (LES-CHEMKIN) and Reynolds Averaged Navier Stokes with detailed kinetics (RANS-CHEMKIN), were used to model two partially premixed engine conditions. The results were compared with average pressure and heat release data, as well as images of in-cylinder ignition chemiluminescence and OH radical distributions. Both LES-CHEMKIN and RANS-CHEMKIN match well with experimental average data. However, LES-CHEMKIN has advantages over RANS-CHEMKIN in predicting the details of location of ignition sites, temperature as well as OH radical distributions. Therefore, LES offers more realistic representations of the combustion process. As a further improvement aiming at saving computational cost and accounting for turbulence-chemistry interactions, a flamelet time scale (FTS) combustion model is coupled with CHEMKIN to predict the entire combustion process. In this new approach (i.e.

An integrated system based modeling approach has been developed to understand early Direct Injection (DI) Diesel Homogeneous Charge Compression Ignition (HCCI) process. GT-Power, a commercial one-dimensional (1-D) engine cycle code has been coupled with an external cylinder model which incorporates sub-models for fuel injection, vaporization, detailed chemistry calculations (Chemkin), heat transfer, energy conservation and species conservation. In order to improve the modeling accuracy, a multi-zone model has been implemented to account for temperature and fuel stratifications in the cylinder charge. The predictions from the coupled simulation have been compared with experimental data from a single cylinder Caterpillar truck engine modified for Diesel HCCI operation. A parametric study is conducted to examine the effect of combustion timing on four major control parameters. Overall the results show good agreement of the trends between the experiments and model predictions.

A Soot-NOx Trap (SNT) is a combinatorial aftertreatment device intended to decrease both particulate and NOx emissions simultaneously. A system-level Soot-NOx Trap model was developed by adding Lean NOx Trap kinetics to a 1D Diesel Particulate Filter model. The hybrid model was validated against each parent model for the limiting cases, then exercised to investigate the interacting redox behavior. Modulations in temperature and exhaust air-fuel ratio were investigated for their ability to facilitate particulate oxidation and NOx reduction in the trap.

Two different types of mesh used for diesel combustion with the KIVA-4 code are compared. One is a well established conventional KIVA-3 type polar mesh. The other is a non-polar mesh with uniform size throughout the piston bowl so as to reduce the number of cells and to improve the quality of the cell shapes around the cylinder axis which can contain many fuel droplets that affect prediction accuracy and the computational time. This mesh is specialized for the KIVA-4 code which employs an unstructured mesh. To prevent dramatic changes in spray penetration caused by the difference in cell size between the two types of mesh, a recently developed spray model which reduces mesh dependency of the droplet behavior has been implemented. For the ignition and combustion models, the Shell model and characteristic time combustion (CTC) model are employed.

Ignition dwell is defined as the interval between end of fuel injection and start of combustion in early injection diesel combustion that exhibits HCCI-like characteristics. In this project, the impact of in-cylinder temperature and fuel-air mixing on the ignition dwell was investigated. The engine cycle was simulated using the 3-D CFD code KIVA-3V. Work done by Klingbeil (2002) has shown that ignition dwell allows more time for fuel and air to mix and drastically reduces emissions of NOX and particulate matter. Temperature is known to have a direct impact on the duration of ignition dwell. However, initial fuel-air distribution and mixing (i.e. at the end of fuel injection) may also impact the duration of ignition dwell. To investigate this, variations in EGR, fuel injection timing, engine valve actuation and swirl were simulated. The aim was to use these techniques to generate varying levels of fuel-air mixing and to check if ignition dwell was affected.

Combustion and emission characteristics of diesel- ammonia-fueled internal combustion engines were obtained by simulation and experiment with a multi- cylinder industry engine to reduce nitrous oxide, N2O, emission which has high global warming potential. The test engine was based on 4-stroke-cycle diesel engine with common rail injection system and ammonia gas was introduced in intake air. Simulation result by combustion CFD with detailed chemistry showed N2O remains at unburned ammonia-air mixture region, and simultaneous reduction of both N2O and unburned ammonia has been expected in high in-cylinder temperature. The test result showed unburned ammonia reduced along with increased in-cylinder temperature in high equivalence ratio and advanced injection timing conditions.

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.

Large Eddy Simulation (LES) with a flamelet time scale combustion model is used to simulate diesel combustion. The flamelet time scale model uses a steady-state flamelet library for n-heptane indexed by mean mixture fraction, mixture fraction variance, and mean scalar dissipation rate. In the combustion model, reactions proceed towards the flamelet library solution at a time scale associated with the slowest reaction. This combination of a flamelet solution and a chemical time scale helps to account for unsteady mixing effects. The turbulent sub-grid stresses are simulated using a one-equation, non-viscosity LES model called the dynamic structure model. The model uses a tensor coefficient determined by the dynamic procedure and the subgrid kinetic energy. The model has been expanded to include scalar mixing and scalar dissipation. A new model for the conditional scalar dissipation has been developed to better predict local extinction.

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.

Analysis of the cold-starting performance of diesel engines requires the development of advanced models to describe the multicomponent nature of the fuel as well as the spray impingement and wall film behavior. A new approach to modeling the multicomponent nature of commercial fuels was implemented. This model is based on a continuous distribution using a probability density function, rather than the use of discrete components, to capture more accurately the entire range of composition in commercial fuels. The model was applied to single droplet calculations to validate the predictions against experimental results. Previous discrete component wall-film modeling has been extended to include the continuous multicomponent fuel representation. A significant factor that has received little attention in analyzing the cold-start performance of diesel engines is the spray impingement angle and location. This has been investigated using the modified KIVA code.

An integrated system model containing sub-models for a multi-cylinder diesel engine, NOx and soot(PM) emissions, diesel oxidation catalyst (DOC) and diesel particulate filter (DPF) has been developed to simulate the engine and aftertreatment systems at transient engine operating conditions. The objective of this work is two-fold; ensure correct implementation of the integrated system level model and apply the integrated model to understand the fuel economy trade-off for various DPF regeneration strategies. The current study focuses on a 1.9L turbocharged diesel engine and its exhaust system. The engine model was built in GT-Power and validated against experimental data at full-load conditions. The DPF model is calibrated for the current engine application by matching the clean DPF pressure drop for different mass flow rates. Load, boost pressure, speed and EGR controllers are tuned and linked with the current engine model.

In this study, a one-equation LES sub-grid model from Menon, et al. [5] is used in simulating the diesel combustion process. In addition, based on the one-equation methodology of Menon et al., a new one-equation LES scalar transport model is formulated. These models allow for the turbulent transfer coefficients for both momentum and scalar flux to be determined independent of each other. The turbulent viscosity, μt, is determined as a function of the sub-grid kinetic energy, which is in turn determined from the one-equation model. The formulation for the scalar transfer coefficient, μs, is similar to that of the turbulent viscosity, yet is made to be consistent with scalar transport. Results for the LES momentum transfer are compared to experimental data of a backward facing step. This model, in conjunction with the LES scalar flux model, is verified by comparing with experimental data for a non-reacting turbulent jet.

This work integrated a CA10 (crank angle at 10% heat release) controller into an integrated engine, emissions and aftertreatment model platform. Two CA10 phasing targets were chosen to analyze how advancing (or retarding) the target combustion phasing (CA10) affect the formation of NO and CO. The effect of intake valve closure (IVC) timing, which is the control mechanism for maintaining the target combustion phasing, on the cylinder trapped mass, and hence the charge temperature after compression is detailed. Finally, the relation between combustion phasing and the blow-down process leading to the exhaust process is discussed. Retarding the target combustion phasing by two degrees saw a 330 K drop in compressed charge temperature and a quadrupled reduction of peak NO emitted. Peak NO₂ emission reduced three times on account of the same. However, an increase in CO emission was observed when the combustion phasing was advanced.