Analysis of Kinetic Reaction Mechanisms


Book Description

Chemical processes in many fields of science and technology, including combustion, atmospheric chemistry, environmental modelling, process engineering, and systems biology, can be described by detailed reaction mechanisms consisting of numerous reaction steps. This book describes methods for the analysis of reaction mechanisms that are applicable in all these fields. Topics addressed include: how sensitivity and uncertainty analyses allow the calculation of the overall uncertainty of simulation results and the identification of the most important input parameters, the ways in which mechanisms can be reduced without losing important kinetic and dynamic detail, and the application of reduced models for more accurate engineering optimizations. This monograph is invaluable for researchers and engineers dealing with detailed reaction mechanisms, but is also useful for graduate students of related courses in chemistry, mechanical engineering, energy and environmental science and biology.










Multiple Time Scale Dynamics


Book Description

This book provides an introduction to dynamical systems with multiple time scales. The approach it takes is to provide an overview of key areas, particularly topics that are less available in the introductory form. The broad range of topics included makes it accessible for students and researchers new to the field to gain a quick and thorough overview. The first of its kind, this book merges a wide variety of different mathematical techniques into a more unified framework. The book is highly illustrated with many examples and exercises and an extensive bibliography. The target audience of this book are senior undergraduates, graduate students as well as researchers interested in using the multiple time scale dynamics theory in nonlinear science, either from a theoretical or a mathematical modeling perspective.




Computational Electromagnetic-Aerodynamics


Book Description

Presents numerical algorithms, procedures, and techniques required to solve engineering problems relating to the interactions between electromagnetic fields and fluid flow and interdisciplinary technology for aerodynamics, electromagnetics, chemical-physic kinetics, and plasmadynamics Integrates interlinking computational model and simulation techniques of aerodynamics and electromagnetics Combines classic plasma drift-diffusion theory and electron impact ionization modeling for electromagnetic-aerodynamic interactions Describes models of internal degrees of freedom for vibration relaxation and electron excitations




Coping with Complexity: Model Reduction and Data Analysis


Book Description

This volume contains the extended version of selected talks given at the international research workshop "Coping with Complexity: Model Reduction and Data Analysis", Ambleside, UK, August 31 – September 4, 2009. The book is deliberately broad in scope and aims at promoting new ideas and methodological perspectives. The topics of the chapters range from theoretical analysis of complex and multiscale mathematical models to applications in e.g., fluid dynamics and chemical kinetics.




Combustion Engines Development


Book Description

Combustion Engines Development nowadays is based on simulation, not only of the transient reaction of vehicles or of the complete driveshaft, but also of the highly unsteady processes in the carburation process and the combustion chamber of an engine. Different physical and chemical approaches are described to show the potentials and limits of the models used for simulation.




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.




Transport Processes in Chemically Reacting Flow Systems


Book Description

Introduction to the transport of energy, mass, and momentum in chemically reacting fluids for graduate or undergraduate students with no prior background in fluid mechanics. Solutions to selected exercises.




The Kolmogorov Legacy in Physics


Book Description

The present volume, published at the occasion of his 100th birthday anniversary, is a collection of articles that reviews the impact of Kolomogorov's work in the physical sciences and provides an introduction to the modern developments that have been triggered in this way to encompass recent applications in biology, chemistry, information sciences and finance.