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Modeling combustion of transportation fuels remains a difficult task due to the extremely large number of species constituting commercial gasoline and diesel. However, for this purpose, multi-component surrogate fuel models with a reduced number of key species and dedicated reaction subsets can be used to reproduce the physical and chemical traits of diesel and gasoline, also allowing to perform CFD calculations. Recently, a detailed surrogate fuel kinetic model, named C3 mechanism, was developed by merging high-fidelity sub-mechanisms from different research groups, i.e. C0-C4 chemistry (NUI Galway), linear C6-C7 and iso-octane chemistry (Lawrence Livermore National Laboratory), and monocyclic aromatic hydrocarbons (MAHs) and polycyclic aromatic hydrocarbons (PAHs) (ITV-RWTH Aachen and CRECK modelling Lab-Politecnico di Milano).

On the way to emission-free mobility, future fuels must be CO2 neutral. To achieve this, synthetic fuels are being developed. In order to better assess the effects of the new fuels on the engine process, simulation models are being developed that reproduce the chemical and physical properties of these fuels. In this paper, the fuel DMC+ is examined. DMC+ (a mixture of dimethyl carbonate (DMC) and methyl formate (MeFo) mainly, characterized by the lack of C-C Bonds and high oxygen content) offers advantages with regard to evaporation heat, demand of oxygen and knock resistance. Furthermore, its combustion is almost particle free. With the aid of modern 0D/1D simulation methods, an assessment of the potential of DMC+ can be made. It is shown that the simulative conversion of a state-of-the-art gasoline engine to DMC+ fuel offers advantages in terms of efficiency in many operating points even if the engine design is not altered.

An experimental investigation of the effects of ceramic coatings on diesel engine performance and exhaust emissions was conducted. Tests were carried out over a range of engine speeds at full load for a standard metal piston and two pistons insulated with 0.5 mm and 1.0 mm thick ceramic coatings. The thinner (0.5 mm) ceramic coating resulted in improved performance over the baseline engine, with the gains being especially pronounced with decreasing engine speed. At 1000 rpm, the 0.5 mm ceramic coated piston produced 10% higher thermal efficiency than the metal piston. In contrast, the relatively thicker coating (1 mm), resulted in as much as 6% lower thermal efficiency compared to baseline. On the other hand, the insulated engines consistently presented an attractive picture in terms of their emissions characteristics. Due to the more complete combustion in the insulated configurations, exhaust CO levels were between 30% and 60% lower than baseline levels.

Direct injection (DI) compressed natural gas (CNG) engines are emerging as a promising technology for highly efficient and low-emission engines. However, the design of DI systems for compressible gas is challenging due to supersonic flows and the occurrence of shocks. An outwardly opening poppet-type valve design is widely used for DI-CNG. The formation of a hollow cone gas jet resulting from this configuration, its subsequent collapse, and mixing is challenging to characterize using experimental methods. Therefore, numerical simulations can be helpful to understand the process and later to develop models for engine simulations. In this article, the results of high-fidelity large-eddy simulation (LES) of a stand-alone injector are discussed to understand the evolution of the hollow cone gas jet better.

A study has been conducted in order to investigate the effect of the location of knock initiation on heat flux in a Spark-Ignition (SI) combustion chamber. Heat flux measurements were taken on the piston and cylinder head under different knock intensity levels, induced by advancing the spark timing. Tests were performed with two engine configurations, the first with the spark-plug located on the rear side of the chamber and the other having a second non-firing spark-plug placed at the front side of the chamber. The presence of the non-firing spark-plug consistently shifted the location of autoignition initiation from the surface of the piston to its vicinity, without causing a noticeable increase in knock intensity. By localizing the initiation of knock, changes induced in the secondary flame propagation pattern affected both the magnitude and the rate of change of peak heat flux under heavy knock.

A prototype chromel-alumel overlapping thin-film thermocouple (TFTC) has been developed for transient heat transfer measurements in ceramic-coated combustion chambers. The TFTC has been evaluated using various metallurgical techniques such as scanning electron microscopy, energy dispersive x-ray detection, and Auger electron spectroscopy. The sensor was calibrated against a standard thermocouple in ice, boiling water, and a furnace at 1000°C. The microstructural and chemical analysis of the thin-films showed the alumel film composition was very similar to the bulk material, while the chromel film varied slightly. An initial set of ceramic plug surface temperatures was taken while motoring and firing the engine at 1900 rpm to verify thermocouple operation. The data shows a 613 K mean temperature and a 55 K swing for the ceramic surface compared with a 493 K mean temperature and a 20 K swing for the metal surface at the same location.

An experimental study of the effects of thin ceramic thermal barrier coatings on the performance of a spark-ignited gasoline engine was conducted. A modified 2.5 liter GM engine with ceramic-coated pistons, liners, head, valves and ports was used. Experimental results obtained from the ceramic engine were compared with baseline metal engine data. It was shown that at low-speed part-load conditions encountered in typical driving cycles the ceramic engine could achieve up to 18% higher brake power and up to 10% lower specific fuel consumption. At wide open throttle conditions, the two engines exhibited similar characteristics, except at high speeds where the metal engine showed better performance at the expense of inferior fuel economy. The ceramic coating did not produce any observable knock in the engine and showed no significant wear at the conclusion of the testing phase.

The thermal conditions of an engine structure, in particular the wall temperatures, have been shown to have a great effect on the HCCI engine combustion timing and burn rates through wall heat transfer, especially during transient operations. This study addresses the effects of thermal inertia on combustion in an HCCI engine. In this study, the control of combustion timing in an HCCI engine is achieved by modulating the residual gas fraction (RGF) while considering the wall temperatures. A multi-cylinder engine simulation with detailed geometry is carried out using a 1-D system model (GT-Power®) that is linked with Simulink®. The model includes a finite element wall temperature solver and is enhanced with original HCCI combustion and heat transfer models. Initially, the required residual gas fraction for optimal BSFC is determined for steady-state operation. The model is then used to derive a map of the sensitivity of optimal residual gas fraction to wall temperature excursions.

This paper analyzes and compares reactor and engine behavior of a diesel oxidation catalyst (DOC) in the presence of conventional diesel exhaust and low temperature premixed compression ignition (PCI) diesel exhaust. Surrogate exhaust mixtures of n-undecane (C11H24), ethene (C2H4), CO, O2, H2O, NO and N2 are defined for conventional and PCI combustion and used in the gas flow reactor tests. Both engine and reactor tests use a DOC containing platinum, palladium and a hydrocarbon storage component (zeolite). On both the engine and reactor, the composition of PCI exhaust increases light-off temperature relative to conventional combustion. However, while nominal conditions are similar, the catalyst behaves differently on the two experimental setups. The engine DOC shows higher initial apparent HC conversion efficiencies because the engine exhaust contains a higher fraction of trappable (i.e., high boiling point) HC.

Extending the operating range of the gasoline HCCI engine is essential for achieving desired fuel economy improvements at the vehicle level, and it requires deep understanding of the thermal conditions in the cylinder. Combustion chamber deposits (CCD) have been previously shown to have direct impact on near-wall phenomena and burn rates in the HCCI engine. Hence, the objectives of this work are to characterize thermal properties of deposits in a gasoline HCCI engine and provide foundation for understanding the nature of their impact on autoignition and combustion. The investigation was performed using a single-cylinder engine with re-induction of exhaust instrumented with fast-response thermocouples on the piston top and the cylinder head surface. The measured instantaneous temperature profiles changed as the deposits grew on top of the hot-junctions.

This paper reports the development of a model of diesel combustion and NO emissions, based on a modified eddy dissipation concept (EDC), and its implementation into the KIVA-3V multidimensional simulation. The EDC model allows for more realistic representation of the thin sub-grid scale reaction zone as well as the small-scale molecular mixing processes. Realistic chemical kinetic mechanisms for n-heptane combustion and NOx formation processes are fully incorporated. A model based on the normalized fuel mass fraction is implemented to transition between ignition and combustion. The modeling approach has been validated by comparison with experimental data for a range of operating conditions. Predicted cylinder pressure and heat release rates agree well with measurements. The predictions for NO concentration show a consistent trend with experiments. Overall, the results demonstrate the improved capability of the model for predictions of the combustion process.

Adjusting the Residual Gas Fraction (RGF) by means of Variable Valve Actuation (VVA) is a strong candidate for controlling the ignition timing in Homogeneous Charge Compression Ignition (HCCI) engines. However, at high levels of residual gas fraction, insufficient mixing can lead to the presence of considerable temperature and composition variations. This paper extends previous modeling efforts to include the effect of RGF distribution on the onset of ignition and the rate of combustion using a multi-dimensional fluid mechanics code (KIVA-3V) sequentially with a multi-zone code with detailed chemical kinetics. KIVA-3V is used to simulate the gas exchange processes, while the multi-zone code computes the combustion event. It is shown that under certain conditions the effect of composition stratification is significant and cannot be captured by a single-zone model or a multi-zone model using only temperature zones.

The performance of modern boosted gasoline engines is limited at high loads by knock, stochastic Low Speed Pre-Ignition as well as megaknock. The main objective of the present work is to develop a predictive combustion model to investigate auto-ignition and megaknock events at high load conditions in gasoline engines. A quasi one-dimensional combustion simulation tool has been developed to model abnormal combustion events in gasoline engines using detailed chemical kinetics and a multi zone wall heat transfer model. The model features six boundary layers representing specific geometrical features such as liner and piston with individual wall temperatures and chemistry to accurately track the individual zone’s thermodynamic properties. The accuracy of the utilized auto-ignition and one-dimensional spark ignition combustion models was demonstrated by validating against experimental data.

Especially for internal combustion engine simulations, various combustion models rely on the laminar burning velocity. With respect to computational time needed for CFD, the calculation of laminar burning velocities using a detailed chemical mechanism can be replaced by incorporation of approximation formulas, based on rate-ratio asymptotics. This study revisits an existing analytical approximation formula [1]. It investigates applicable temperature, pressure, and equivalence ratio ranges with special focus on engine combustion conditions. The fuel chosen here is methane and mixtures are composed of methane and air. The model performance to calculate the laminar burning velocity are compared with calculated laminar burning velocities using existing state of the art detailed chemical mechanisms, the GRI Mech 3.0 [2], the ITV RWTH [3], and the Aramco mechanism [4].

Premixed charge compression ignition (PCCI) is an interesting alternative to conventional diesel combustion, as it allows very low emission levels for part load operation. The difficult control of the onset of combustion is an obstacle to the implementation of PCCI. In a recent study, different mixtures of gasoline and diesel fuel have been used in a modified diesel engine to delay the ignition and thus to allow for a substantial premixing time. For these cases, very low levels of particulate emissions have been reported. However, the emissions of CO and NOx were considerably high. In this study, combustion and pollutant formation in the above-mentioned modified diesel engine are simulated using the representative interactive flamelet (RIF) approach. A detailed chemical reaction mechanism for a mixture of n-heptane, iso-octane, toluene, and ethanol, serving as surrogate fuel for the diesel-gasoline blend, is used for the simulations.

A high pressure and high temperature evaporation model was implemented in the KIVA-3 multidimensional engine simulation. The most significant features of the new evaporation model are: the effects of Stefan flow on transfer rates are included; internal circulation is accounted using the effective conductivity model of Abramzon and Sirignano [1]; equilibrium composition is calculated at high pressures using a real gas equation of state; and properties are evaluated as functions of temperature, pressure and composition. The evaporation of a continuous spray of n-dodecane injected in a chamber pressurized with nitrogen gas was simulated using the two models. Predictions of the evaporation rate, the spray penetration and fuel vapor distribution by the two models were significantly different. The differences persisted over a range of ambient pressures and temperatures, injection velocities, initial droplet sizes and fuel volatilities.

Instantaneous piston surface temperatures and heat flux rates were measured inside and outside the end-gas zone of a single-cylinder research engine operated under light and heavy knocking conditions. The engine was run with center and rear side spark-plug configurations, thus alternating the position of the heat flux probes relative to the end gas. Heat transfer data were collected over 88 engine cycles for each of which knock intensity was determined by heat release analysis. Under light knock, the ensemble-averaged peak heat-flux at locations near the end-gas increased with spark advance towards heavier knock, showing significant departure from its trend prior to the onset of knock. Under heavy knock, the ensemble-averaged peak heat-flux increased throughout the piston crown. Despite showing significant scatter, individual cycle, peak heat-flux values near the end-gas region were found to follow an increasing trend with knock intensity under light knocking conditions.

Piston heat transfer measurements were taken under varying knock intensity in a modern spark-ignition engine combustion chamber. For a range of knocking spark timings, two knock intensity levels were obtained by using a high (80°C) and a low (50°C) cylinder head coolant temperature. Data were taken with a central and a side spark plug configuration. When the spark-plug was placed at the center of the combustion chamber, a linear variation of peak heat flux with knock intensity was found in the end-gas region. Very large changes in peak heat flux (on the order of 100%) occurred at probes whose relative location with respect to the end gas zone changed from being within (80°C coolant case) to being outside the zone (50°C coolant case). With side spark-plug, distinct differences in peak heat flux occurred at all probes and under all knock intensities, but the correlation between knock intensity and heat flux was not linear.

Two methods for mitigating unacceptably high HCCI heat-release rates are investigated and compared in this combined experimental/CFD work. Retarding the combustion phasing by decreasing the intake temperature is found to have good potential for smoothing heat-release rates and reducing engine knock. There are at least three reasons for this: 1) lower combustion temperatures, 2) less pressure rise when the combustion is occurring during the expansion stroke, and 3) the natural thermal stratification increases around TDC. However, overly retarded combustion leads to unstable operation with partial-burn cycles resulting in high IMEPg variations and increased emissions. Enhanced natural thermal stratification by increased heat-transfer rates was explored by lowering the coolant temperature from 100 to 50°C. This strategy substantially decreased the heat-release rates and lowered the knocking intensity under certain conditions.

We have developed a methodology for analysis of Premixed Charge Compression Ignition (PCCI) engines that applies to conditions in which there is some stratification in the air-fuel distribution inside the cylinder at the time of combustion. The analysis methodology consists of two stages: first, a fluid mechanics code is used to determine temperature and equivalence ratio distributions as a function of crank angle, assuming motored conditions. The distribution information is then used for grouping the mass in the cylinder into a two-dimensional (temperature-equivalence ratio) array of zones. The zone information is then handed on to a detailed chemical kinetics model that calculates combustion, emissions and engine efficiency information. The methodology applies to situations where chemistry and fluid mechanics are weakly linked.