Modeling of End-Gas Autoignition for Knock Prediction in Gasoline Engines


Book Description

Downsizing of modern gasoline engines with direct injection is a key concept for achieving future CO22 emission targets. However, high power densities and optimum efficiency are limited by an uncontrolled autoignition of the unburned air-fuel mixture, the so-called spark knock phenomena. By a combination of three-dimensional Computational Fluid Dynamics (3D-CFD) and experiments incorporating optical diagnostics, this work presents an integral approach for predicting combustion and autoignition in Spark Ignition (SI) engines. The turbulent premixed combustion and flame front propagation in 3D-CFD is modeled with the G-equation combustion model, i.e. a laminar flamelet approach, in combination with the level set method. Autoignition in the unburned gas zone is modeled with the Shell model based on reduced chemical reactions using optimized reaction rate coefficients for different octane numbers (ON) as well as engine relevant pressures, temperatures and EGR rates. The basic functionality and sensitivities of improved sub-models, e.g. laminar flame speed, are proven in simplified test cases followed by adequate engine test cases. It is shown that the G-equation combustion model performs well even on unstructured grids with polyhedral cells and coarse grid resolution. The validation of the knock model with respect to temporal and spatial knock onset is done with fiber optical spark plug measurements and statistical evaluation of individual knocking cycles with a frequency based pressure analysis. The results show a good correlation with the Shell autoignition relevant species in the simulation. The combined model approach with G-equation and Shell autoignition in an active formulation enables a realistic representation of thin flame fronts and hence the thermodynamic conditions prior to knocking by taking into account the ignition chemistry in unburned gas, temperature fluctuations and self-acceleration effects due to pre-reactions. By the modeling approach and simulation methodology presented in this work the overall predictive capability for the virtual development of future knockproof SI engines is improved.




Low-temperature Combustion and Autoignition


Book Description

Combustion has played a central role in the development of our civilization which it maintains today as its predominant source of energy. The aim of this book is to provide an understanding of both fundamental and applied aspects of low-temperature combustion chemistry and autoignition. The topic is rooted in classical observational science and has grown, through an increasing understanding of the linkage of the phenomenology to coupled chemical reactions, to quite profound advances in the chemical kinetics of both complex and elementary reactions. The driving force has been both the intrinsic interest of an old and intriguing phenomenon and the centrality of its applications to our economic prosperity. The volume provides a coherent view of the subject while, at the same time, each chapter is self-contained.




Chemical Kinetic Modelling of Autoignition Under Conditions Relevant to Knock in Spark Ignition Engines


Book Description

The phenomenon called the ''engine knock'' is an abnonnal combustion mode inspark ignition (SI) engines. it might lead to very high peak pressure in the cylinderand serious damages in engines. Knock limits the compression ratio of the ~ngine. The higher compression ratiomeans the higher fuel conversion efficiency of the engine. it also means highercylinder pressure and thereby higher gas temperature which can cause knock becauseof shorter ignition delay time. Increasing compression ratio is the simplest strategyfor increasing the efficiency of combustion, so a more detailed understanding of theprocesses goveming knock is important.it is generally accepted that knock is initiated by autoignition in the unbumed gasmixture as a result of compression due to the f1ame front propagation and the piston movement. Auto ignition can be defined as spontaneous ignition of some part of thecharge in the cylinder. The autoignition is may cause an extremely rapid chemicalenergy release. it causes a high local pressure and propagation of pressure waveswith high amplitude across the combustion chamber. The rapid rise in pressure andthe vibration of the resultant pressure wave across the combustion chamber cause erosion of the piston, piston rings and head gaskets. Known measures to avoid theoccurrence of engine knock cause either environmental problems, for example theusage of MTBE or reduce the engine thennal efficiency , for example lowcompression ratio, high swirl or early ignition timing. Because of this, the occurrenceof knock was subject of continuous public and industrial research.A detailed investigation of the combustion processes in intemal combustion engines is necessary for the improvement of engine technology .Chemical kinetic model ofthe combustion process implemented into the computational f1uid dynamic sapplications for the prediction of gas f1ow in the combustion chamber provides anefficient tool in tenns of time and cost for the investigation and improvement of the combustion process.The software tools for the modeling of combustion processes in combustion devicesrequire the reduction of the kinetic model to a limited number of species. Since the engine geometry is very complex, the performnnance of commercial software productsfor combustion device optimization decreases considerably if the number of species exceeds about 10. Consequently, a variety of methods in chemical kinetic modelingare needed to construct a reaction mechanism for a complex fuel such as PRF and toreduce it to a low number of capable species without a loss of information that mightbe important for the accuracy of the calculations. One method having the following steps is The generation of a ''detailed reaction mechanism'',The construction of the ''skeletal mechanism'',The final reduction of the reaction mechanism using Quasi Steady State Approximations (QSSA).This study concentrates on the construction of the problem oriented reduced mechanism. A method for automatic reduction of detailed kinetic to reduced mechanisms for complex fuels is proposed. The method is based on the simultaneoususe of sensitivity, reaction-f1ow and lifetime analyses. The sensitivity analysis detects species that the overall combustion process is sensitive on. Small in accuracies, in calculating these species, result in large errors in the characteristic behavior of the chernical scheme. Species, not relevant for the occurrence of autoignition in the end-gas, are defined as redundant. The automatic detection of there dundant species is done by means of an analysis of the reaction f1ows from and towards the most sensitive species, the fuel, the oxidizer and the final products. Theyare identified and eliminated for different pre-set levels of minimum reaction flow and sensitivity to generate a skeletal mechanism. The resulting skeletal mechanism is investigated with lifetime analysis to get the final reduced mechanism. A measure ofspecies lifetimes is taken from the diagonal elements of the Jacobian matrix of the chernical source terms. The species with the lifetime shorter than and mass-fractionIess than specified limits are assumed to be in steady state and selected for removalfrom the skeletal mechanism. The reduced mechanism is valid for the parameter range of initial and boundary values that the analysis has been performed for.The proposed reduction method is exemplified on a detailed reaction mechanism foriso-octane/n-heptane rnixtures. The gas-phase chernistry is analyzed in the end gas of an SI engine, using a two-zone model with conditions chosen relevant for engine knock. Comparing results obtained from the skeletal and the reduced mechanism swith results from the detailed mechanism shows the accuracy of the resulting mechanisms. it is shown that the error in the mechanisms increase with increasingpre-set Ievels of reduction. This is visualized by the help of the predicted crank angle degree at which auto ignition in the end gas of the engine occurs.The reduced mechanism is used for investigation of the modeling of the auto ignitionin the SI engines. The effects of engine operator parameters such as compression ratio, spark advance, fuel equivalence ratio and engine speed on autoignition onsettime have been studied.This work shows that it is possible to achieve a simplified reaction mechanism withgood agreement to the original mechanism by the reduction method. Fundamental knowledge about the detailed mechanism is not necessary to apply the method. Theprocedure used for reduction is fully automatic and provides a fast technique togenerate the problem oriented reduced mechanisms.




Autoignition Characteristics of Diesel Fuel and Its Surrogates


Book Description

The design process for development of engines could be made faster and less expensive with the help of computations which help understanding the processes prevalent in internal combustion engines. Running engine simulations are challenging as they need to accurately capture the fluid dynamic and chemical kinetic processes that occur in an engine. A major challenge in simulating chemical kinetic processes is the complexity of the fuel chemistry: real fuels are complex mixtures whose composition determines their physical properties and reactivity. The behavior of these real fuels can be conveniently represented using simpler mixtures often called â€surrogates mixtures†that match the key properties of the real fuels. Successful modeling of the ignition of real fuel first requires the formulation of an appropriate surrogate mixture whose compositions are carefully chosen in order to best emulate the combustion properties of the targeted real fuel. Then a comprehensive chemical kinetic model developed based on the surrogate fuel is used to simulate the combustion process of the real fuel. The work presented in the current dissertation intends to systematically study the surrogate modeling of diesel fuels. The study has been conducted to understand the ignition of surrogate fuel constituents and fully blended diesel fuels. Autoignition of tetralin, 1-methylnaphthalene, iso-cetane, and n-dodecane, the constituents of diesel surrogates, are investigated in the current dissertation. Besides, ignition of binary blends of the surrogate constituents has also been studied to investigate the effects of blending on ignition when neat components are blended to formulate a surrogate fuel. Furthermore, the ignition of two fully blended research grade diesel fuels has also been conducted inorder to provide quality ignition delay data for development and validation of chemical kinetic models of kinetic fuels.




Chemical Kinetics in Combustion and Reactive Flows: Modeling Tools and Applications


Book Description

Introduces advanced mathematical tools for the modeling, simulation, and analysis of chemical non-equilibrium phenomena in combustion and flows, following a detailed explanation of the basics of thermodynamics and chemical kinetics of reactive mixtures. Researchers, practitioners, lecturers, and graduate students will find this work valuable.




Chemical, Biological and Environmental Engineering - Proceedings of the International Conference on Cbee 2009


Book Description

Held in Singapore from 9 to 11 October 2009, the 2009 International Conference on Chemical, Biological and Environmental Engineering (CBEE 2009) aims to provide a platform for researchers, engineers, academicians as well as industrial professionals from all over the world to present their research and development activities in chemical, biological and environmental engineering. Conference delegates will also have the opportunity to exchange new ideas and application experiences, establish business or research relations and find global partners for future collaboration. Sample Chapter(s). Chapter 1: The Future of Biopharmaceutics'' Production (92 KB). Contents: Study on Pyrolysis Characteristics of Electronic Waste (J Sun et al.); Application of Noise Mapping on Environmental Management (K-T Tsai et al.); Characteristics and Transport Properties of Two Modified Zero Valent Iron (Y-H Lin et al.); Synthesis of Visible Light Active N-Doped Titania Photocatalyst (C Kusumawardani et al.); CFD-PBM Modeling of Vertical Bubbly Flows (M R Rahimi & H Karimi); Hydrotalcite-Like Synthesis Using Magnesium from Brine Water (E Heraldy et al.); Cement/Activated-Carbon Solidification/Stabilization Treatment of Nitrobenzene (Z Su et al.); Investigation of Fish Species Biodiversity in Haraz River (I Piri et al.); Risk Assessment of Fluoride in Indian Context (V Chaudhary & M Kumar); Light Transmission In Fluidized Bed (E Shahbazali et al.); Drying of Mushroom Using a Solar Tunnel Dryer (M A Basunia et al.); and other papers. Readership: Researchers, engineers, academicians and industrial professionals in related fields of chemical, biological and environmental engineering.




Chemical Kinetic Modeling of Component Mixtures Relevant to Gasoline


Book Description

Detailed kinetic models of pyrolysis and combustion of hydrocarbon fuels are nowadays widely used in the design of internal combustion engines and these models are effectively applied to help meet the increasingly stringent environmental and energetic standards. In previous studies by the combustion community, such models not only contributed to the understanding of pure component combustion, but also provided a deeper insight into the combustion behavior of complex mixtures. One of the major challenges in this field is now the definition and the development of appropriate surrogate models able to mimic the actual features of real fuels. Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. Their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. Aside the most commonly used surrogates containing iso-octane and n-heptane only, the so called Primary Reference Fuels (PRF), new mixtures have recently been suggested to extend the reference components in surrogate mixtures to also include alkenes and aromatics. It is generally agreed that, including representative species for all the main classes of hydrocarbons which can be found in real fuels, it is possible to reproduce very effectively in a wide range of operating conditions not just the auto-ignition propensity of gasoline or Diesel fuels, but also their physical properties and their combustion residuals [1]. In this work, the combustion behavior of several components relevant to gasoline surrogate formulation is computationally examined. The attention is focused on the autoignition of iso-octane, hexene and their mixtures. Some important issues relevant to the experimental and modeling investigation of such fuels are discussed with the help of rapid compression machine data and calculations. Following the model validation, the behavior of mixtures is discussed on the basis of computational results.




Cleaner Combustion


Book Description

This overview compiles the on-going research in Europe to enlarge and deepen the understanding of the reaction mechanisms and pathways associated with the combustion of an increased range of fuels. Focus is given to the formation of a large number of hazardous minor pollutants and the inability of current combustion models to predict the formation of minor products such as alkenes, dienes, aromatics, aldehydes and soot nano-particles which have a deleterious impact on both the environment and on human health. Cleaner Combustion describes, at a fundamental level, the reactive chemistry of minor pollutants within extensively validated detailed mechanisms for traditional fuels, but also innovative surrogates, describing the complex chemistry of new environmentally important bio-fuels. Divided into five sections, a broad yet detailed coverage of related research is provided. Beginning with the development of detailed kinetic mechanisms, chapters go on to explore techniques to obtain reliable experimental data, soot and polycyclic aromatic hydrocarbons, mechanism reduction and uncertainty analysis, and elementary reactions. This comprehensive coverage of current research provides a solid foundation for researchers, managers, policy makers and industry operators working in or developing this innovative and globally relevant field.