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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.

The 4th Workshop of the Engine Combustion Network (ECN) was held September 5-6, 2015 in Kyoto, Japan. This manuscript presents a summary of the progress in experiments and modeling among ECN contributors leading to a better understanding of soot formation under the ECN “Spray A” configuration and some parametric variants. Relevant published and unpublished work from prior ECN workshops is reviewed. Experiments measuring soot particle size and morphology, soot volume fraction (fv), and transient soot mass have been conducted at various international institutions providing target data for improvements to computational models. Multiple modeling contributions using both the Reynolds Averaged Navier-Stokes (RANS) Equations approach and the Large-Eddy Simulation (LES) approach have been submitted. Among these, various chemical mechanisms, soot models, and turbulence-chemistry interaction (TCI) methodologies have been considered.

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.

A multi-objective genetic algorithm coupled with the KIVA3V release 2 code was used to optimize the piston bowl geometry, spray targeting, and swirl ratio levels of a high speed direct injected (HSDI) diesel engine for passenger cars. Three modes, which represent full-, mid-, and low-loads, were optimized separately. A non-dominated sorting genetic algorithm II (NSGA II) was used for the optimization. High throughput computing was conducted using the CONDOR software. An automated grid generator was used for efficient mesh generation with variable geometry parameters, including open and reentrant bowl designs. A series of new spray models featuring reduced mesh dependency were also integrated into the code. A characteristic-time combustion (CTC) model was used for the initial optimization for time savings. Model validation was performed by comparison with experiments for the baseline engine at full-, mid-, and low-load operating conditions.

Hydraulically intensified medium pressure common rail (MPCR) electronic fuel injection systems are an attractive concept for heavy-duty diesel engine applications. They offer excellent packaging flexibility and thorough engine management system integration. Two different concepts were evaluated in this study. They are different in how the pressure generation and injection events are related. One used a direct principle, where the high-pressure generation and injection events occur simultaneously producing a near square injection rate profile. Another concept was based on an indirect principle, where potential energy (pressure) is first stored inside a hydraulic accumulator, and then released during injection, as a subsequent event. A falling rate shape is typically produced in this case. A unit pump, where the hydraulic intensifier is separated from the injector by a high-pressure line, and a unit injector design are considered for both concepts.

The present work proposes a methodology for diesel engine development using multi-dimensional CFD and computer optimization. A multi-objective genetic algorithm coupled with the KIVA3V Release 2 code was used to optimize a high speed direct injection (HSDI) diesel engine for passenger car applications. The simulations were conducted using high-throughput computing with the CONDOR system. An automated grid generator was used for efficient mesh generation with 11 variable piston bowl geometry parameters. The first step in the procedure was to search for an optimal nozzle and piston bowl design. In this case, spray targeting, swirl ratio, and piston bowl shape were optimized separately for two full-load cases using simpler efficient combustion models (the characteristic time scale model and the shell ignition model). The optimal designs from the two optimizations were then validated using a combustion model with detailed chemistry (KIVA-CHEMKIN model and ERC n-heptane mechanism).

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.

The effect of injection rate shape on spray evolution and emission characteristics is investigated and a methodology for active control of fuel injection is proposed. Extensive validation of advanced vaporization and primary jet breakup models was performed with experimental data before studying the effects of systematic changes of injection rate shape. Excellent agreement with the experiments was obtained for liquid and vapor penetration lengths, over a broad range of gas densities and temperatures. Also the predicted flame lift-off lengths of reacting diesel fuel sprays were in good agreement with the experiments. After the validation of the models, well-defined rate shapes were used to study the effect of injection rate shape on liquid and vapor penetration, flame lift-off lengths and emission characteristics.

In-cylinder fluid velocity is measured in an optically accessible, fired HSDI engine at idle. The velocity field is also calculated, including the full induction stroke, using multi-dimensional fluid dynamics and combustion simulation models. A detailed comparison between the measured and calculated velocities is performed to validate the computed results and to gain a physical understanding of the flow evolution. Motored measurements are also presented, to clarify the effects of the fuel injection process and combustion on the velocity field evolution. The calculated mean in-cylinder angular momentum (swirl ratio) and mean flow structures prior to injection agree well with the measurements. Modification of the mean flow by fuel injection and combustion is also well captured.

A computational optimization study was performed for a direct-injection diesel engine using a recently developed 1-D-KIVA3v-GA (1-Dimensional-KIVA3v-Genetic Algorithm) computer code. The code performs a full engine cycle simulation within the framework of a genetic algorithm (GA) code. Design fitness is determined using a 1-D (one-dimensional) gas dynamics code for the simulation of the gas exchange process, coupled with the KIVA3v code for three-dimensional simulations of spray, combustion and emissions formation. The 1-D-KIVA3v-GA methodology was used to simultaneously investigate the effect of eight engine input parameters on emissions and performance for four cases, which include cases at 2500 RPM and 1000 RPM, with both simulated at high-load and low-load conditions.

RNG k-ε closure turbulence dissipation equations are evaluated employing the CFD code KIVA-3V Release 2. The numerical evaluations start by considering simple jet flows, including incompressible air jets and compressible helium jets. The results show that the RNG closure turbulence model predicts lower jet tip penetration than the "standard" k-ε model, as well as being lower than experimental data. The reason is found to be that the turbulence kinetic energy is dissipated too slowly in the downstream region near the jet nozzle exit. In this case, the over-predicted R term in RNG model becomes a sink of dissipation in the ε-equation. As a second step, the RNG turbulence closure dissipation models are further tested in complex engine flows to compare against the measured evolution of turbulence kinetic energy, and an estimate of its dissipation rate, during both the compression and expansion processes.

A numerical study of air-fuel mixing in a direct-injection spark-ignition engine was carried out. In this paper, the numerical models are described and grid generation methods to represent a realistic port-valve-chamber geometry is discussed. To model a vaporizing hollow-cone spray resulting from an automotive pressure-swirl injector, a newly developed sheet spray atomization model was used to compute the processes of disintegration of the liquid sheet and breakup of the subsequent drops. Computations were performed of a particular 4-valve pent-roof engine configuration in which the intake process and an early fuel injection scheme were considered. After an analysis of the intake-generated flow structures in this engine configuration, the spray behavior and the spatial and temporal evolution of fuel liquid and vapor phases are characterized.

In this paper, optimized single and double injection schemes were found using multi-dimensional engine simulation software (KIVA-3V) and a micro-genetic algorithm for a heavy duty diesel engine. The engine operating condition considered was at 1737 rev/min and 57 % load. The engine simulation code was validated using an engine equipped with a hydraulic-electronically controlled unit injector (HEUI) system. Five important parameters were used for the optimization - boost pressure, EGR rate, start-of-injection timing, fraction of fuel in the first pulse and dwell angle between first and second pulses. The optimum results for the single injection scheme showed significant improvements for the soot and NOx emissions. The start of injection timing was found to be very early, which suggests HCCI-like combustion. Optimized soot and NOx emissions were reduced to 0.005 g/kW-hr and 1.33 g/kW-hr, respectively, for the single injection scheme.

A computational optimization study is performed for a heavy-duty direct-injection diesel engine using the recently developed KIVA-GA computer code. KIVA-GA performs full cycle engine simulations within the framework of a Genetic Algorithm (GA) global optimization code. Design fitness is determined using a one-dimensional gas -dynamics code for calculation of the gas exchange process, and a three-dimensional CFD code based on KIVA-3V for spray, combustion and emissions formation. The performance of the present Genetic Algorithm is demonstrated using a test problem with a multi-modal analytic function in which the optimum is known a priori. The KIVA-GA methodology is next used to simultaneously investigate the effects of six engine input parameters on emissions and performance for a high speed, medium load operating point for which baseline experimental validation data is available.

The effects of numerical methodology in defining the initial conditions and simulating the compression stroke in D.I. diesel engine CFD computations are studied. Lumped and pointwise approaches were adopted in assigning the initial conditions at IVC. The lumped approach was coupled with a two-dimensional calculation of the compression stroke. The pointwise methodology was based on the results of an unsteady calculation of the intake stroke performed by using the STAR-CD code in the realistic engine and port geometry. Full engine and 60 deg. sector meshes were used in the compression stroke calculations in order to check the accuracy of the commonly applied axi-symmetric fluid dynamics assumption. Analysis of the evolution of the main fluid dynamics parameters revealed that local conditions at the time of injection strongly depend on the numerical procedure adopted.

Fuel Injection System (FIS) research on injection pressure, timing control, and rate shaping, and studies on the modeling of injector nozzle flows and their effect on fuel spray characteristics are usually conducted separately. Only recently has the fuel injection and spraying process been studied as a complete system, i.e., including both the high-pressure fuel delivery and its effect on the nozzle flow characteristics, including nozzle cavitation. A methodology for coupling the fuel injection system and its effect on spray characteristics is presented here. The method is applied to an example case of a conventional pump-line-nozzle system. Mathematical models for characterizing the flows from the pump to the nozzle are formulated and solved using the Method of Characteristics and finite difference techniques. The nozzle internal flow is modeled using zero-dimensional flow models, in which the nozzle cavitation and its effect on the nozzle exit flow are accounted for.