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.

The application of modern methods in numerical mathematics on problems in chemical engineering is essential for designing, analyzing and running chemical processes and even entire plants. Scientific Computing in Chemical Engineering II gives the state of the art from the point of view of numerical mathematicians as well as that of engineers. The present volume as part of a two-volume edition covers topics such as the simulation of reactive flows, reaction engineering, reaction diffusion problems, and molecular properties. The volume is aimed at scientists, practitioners and graduate students in chemical engineering, industrial engineering and numerical mathematics.

Parallel CFD 2000, the Twelfth in an International series of meetings featuring computational fluid dynamics research on parallel computers, was held May 22-25, 2000 in Trondheim, Norway.Following the trend of the past conferences, areas such as numerical schemes and algorithms, tools and environments, load balancing, as well as interdisciplinary topics and various kinds of industrial applications were all well represented in the work presented. In addition, for the first time in the Parallel CFD conference series, the organizing committee chose to draw special attention to certain subject areas by organizing a number of special sessions.We feel the emphasis of the papers presented at the conference reflect the direction of the research within parallel CFD at the beginning of the new millennium. It seems to be a clear tendency towards increased industrial exploitation of parallel CFD. Several presentations also demonstrated how new insight is being achieved from complex simulations, and how powerful parallel computers now make it possible to use CFD within a broader interdisciplinary setting.Obviously, successful application of parallel CFD still rests on the underlying fundamental principles. Therefore, numerical algorithms, development tools, and parallelization techniques are still as important as when parallel CFD was in is infancy. Furthermore, the novel concepts of affordable parallel computing as well as metacomputing show that exciting developments are still taking place.As is often pointed out however, the real power of parallel CFD comes from the combination of all the disciplines involved: Physics, mathematics, and computer science. This is probably one of the principal reasons for the continued popularity of the Parallel CFD Conferences series, as well as the inspiration behind much of the excellent work carried out on the subject. We hope that the papers in this book, both on an individual basis and as a whole, will contribute to that inspiration. Further details of Parallel CFD'99, as well as other conferences in this series, are available at http://www.parcfd.org

Turbulent combustion sits at the interface of two important nonlinear, multiscale phenomena: chemistry and turbulence. Its study is extremely timely in view of the need to develop new combustion technologies in order to address challenges associated with climate change, energy source uncertainty, and air pollution. Despite the fact that modeling of turbulent combustion is a subject that has been researched for a number of years, its complexity implies that key issues are still eluding, and a theoretical description that is accurate enough to make turbulent combustion models rigorous and quantitative for industrial use is still lacking. In this book, prominent experts review most of the available approaches in modeling turbulent combustion, with particular focus on the exploding increase in computational resources that has allowed the simulation of increasingly detailed phenomena. The relevant algorithms are presented, the theoretical methods are explained, and various application examples are given. The book is intended for a relatively broad audience, including seasoned researchers and graduate students in engineering, applied mathematics and computational science, engine designers and computational fluid dynamics (CFD) practitioners, scientists at funding agencies, and anyone wishing to understand the state-of-the-art and the future directions of this scientifically challenging and practically important field.

In this fifth volume of the authoritative series, the simulation of forest fires, flames, and hydrodynamics is presented in the first three articles. The next two deal with quantum simulations, in particular for two dimensions (quantum Hall effect and monolayers). Biology is connected with the last two articles: we learn from biological evolution to complement computer hardware and software with evolware, or we simulate immunology.

Table of contents

This book presents the state of the art in modeling and simulation on supercomputers. Leading German research groups present their results achieved on high-end systems of the High Performance Computing Center Stuttgart (HLRS) for the year 2003. The reports cover all fields of computational science and engineering ranging from computational fluid dynamics via computational physics and chemistry to computer science. Special emphasis is given to industrially relevant applications. Presenting results for both vector-systems and micro-processor based systems, the book allows the reader to compare performance levels and usability of a variety of supercomputer architectures. In the light of the success of the Japanese Earth-Simulator, this book may serve as a guide book for a US response. The book covers the main methods in high performance computing. Its outstanding results in achieving highest performance for production codes are of particular interest for both the scientist and the engineer. The book comes with a wealth of color illustrations and tables of results.

An overview of recent developments in high performance computing and simulation, with special emphasis on the industrial relevance of the presented results and methods. The book showcases an innovative combination of the state-of-the-art modeling, novel numerical algorithms and the use of leading-edge high-performance computing systems.

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.

The MIT mission - "to bring together Industry and Academia and to nurture the next generation in computational mechanics is of great importance to reach the new level of mathematical modeling and numerical solution and to provide an exciting research environment for the next generation in computational mechanics." Mathematical modeling and numerical solution is today firmly established in science and engineering. Research conducted in almost all branches of scientific investigations and the design of systems in practically all disciplines of engineering can not be pursued effectively without, frequently, intensive analysis based on numerical computations.The world we live in has been classified by the human mind, for descriptive and analysis purposes, to consist of fluids and solids, continua and molecules; and the analyses of fluids and solids at the continuum and molecular scales have traditionally been pursued separately. Fundamentally, however, there are only molecules and particles for any material that interact on the microscopic and macroscopic scales. Therefore, to unify the analysis of physical systems and to reach a deeper understanding of the behavior of nature in scientific investigations, and of the behavior of designs in engineering endeavors, a new level of analysis is necessary. This new level of mathematical modeling and numerical solution does not merely involve the analysis of a single medium but must encompass the solution of multi-physics problems involving fluids, solids, and their interactions, involving multi-scale phenomena from the molecular to the macroscopic scales, and must include uncertainties in the given data and the solution results. Nature does not distinguish between fluids and solids and does not ever repeat itself exactly.This new level of analysis must also include, in engineering, the effective optimization of systems, and the modeling and analysis of complete life spans of engineering products, from design to fabrication, to possibly multiple repairs, to end of service.