Search results for: modeling-of-chemical-reactions-volume-42

Comprehensive Chemical Kinetics

Author : R. W. Carr
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Modeling of Chemical Reactions

Author : R.W. Carr
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Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit. It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and would benefit from having a wide range of useful material gathered in one volume. The range of subject matter is wider than that found in many previous treatments of this subject. The technical level of the material is also quite wide, so that non-experts can gain a grasp of fundamentals, and experts also can find the book useful. A solid introduction to kinetics Material on computational quantum chemistry, an important new area for kinetics Contains a chapter on construction of mechanisms, an approach only found in this book

Comprehensive Chemical Kinetics

Author : C. H. Bamford
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Analysis of Kinetic Reaction Mechanisms

Author : Tamás Turányi
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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.

Surface Engineering Series Volume 2 Chemical Vapor Deposition

Author : Edited by Jong-Hee Park and T.S. Sudarshan
File Size : 65.1 MB
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This handbook provides guidelines and practical information on the chemical vapor deposition (CVD) process for surface engineering design, product development, and manufacturing. The first of the 14 chapters discuss the basic principles of CVD thermodynamics and kinetics, stresses and mechanical sta

Mathematical Modelling of Gas Phase Complex Reaction Systems Pyrolysis and Combustion

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Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion, Volume 45, gives an overview of the different steps involved in the development and application of detailed kinetic mechanisms, mainly relating to pyrolysis and combustion processes. The book is divided into two parts that cover the chemistry and kinetic models and then the numerical and statistical methods. It offers a comprehensive coverage of the theory and tools needed, along with the steps necessary for practical and industrial applications. Details thermochemical properties and "ab initio" calculations of elementary reaction rates Details kinetic mechanisms of pyrolysis and combustion processes Explains experimental data for improving reaction models and for kinetic mechanisms assessment Describes surrogate fuels and molecular reconstruction of hydrocarbon liquid mixtures Describes pollutant formation in combustion systems Solves and validates the kinetic mechanisms using numerical and statistical methods Outlines optimal design of industrial burners and optimization and dynamic control of pyrolysis furnaces Outlines large eddy simulation of turbulent reacting flows

Mathematical Models and Methods for Ab Initio Quantum Chemistry

Author : M. Defranceschi
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On the occasion of the fourth International Conference on Industrial and Applied Mathematics!, we decided to organize a sequence of 4 minisymposia devoted to the mathematical aspects and the numerical aspects of Quantum Chemistry. Our goal was to bring together scientists from different communities, namely mathematicians, experts at numerical analysis and computer science, chemists, just to see whether this heterogeneous set of lecturers can produce a rather homogeneous presentation of the domain to an uninitiated audience. To the best of our knowledgde, nothing of this kind had never been tempted so far. It seemed to us that it was the good time for doing it, both . because the interest of applied mathematicians into the world of computational chemistry has exponentially increased in the past few years, and because the community of chemists feels more and more concerned with the numerical issues. Indeed, in the early years of Quantum Chemistry, the pioneers (Coulson, Mac Weeny, just to quote two of them) used to solve fundamental equations modelling toy systems which could be simply numerically handled in view of their very limited size. The true difficulty arose with the need to model larger systems while possibly taking into account their interaction with their environment. Hand calculations were no longer possible, and computing science came into the picture.

Advances in Chemical Physics Volume 42

Author : K. P. Lawley
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Shows the diversity and sophistication of present knowledge of molecular collisions and the forces that govern their outcome, examining major aspects from the point of view of the potential surface. Covers such topics as angle dependent potentials, vibranic coupling, and branching ratios in simple atomic reactions.

Hydrogeology

Author : Fei Jin
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This book is a collection of papers presented in the symposia, held in Beijing, on hydrogeology. The papers deal with different topics providing information on some problems on riverside groundwater, assessment of groundwater contamination, and groundwater protection strategy.

Journal of the Institution of Engineers India

Author :
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Chemical equilibrium and reaction models proceedings of an international symposium in San Antonio Texas 23 and 24 October 1990

Author : Richard H. Loeppert
File Size : 38.69 MB
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Chemical Equilibrium and Reaction Models

Author : Soil Science Society of America. Division S-1
File Size : 64.57 MB
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AIAA Journal

Author : American Institute of Aeronautics and Astronautics
File Size : 28.88 MB
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HTFS Digest

Author :
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International bibliography of periodical literature covering all fields of knowledge

Author :
File Size : 62.66 MB
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Advances in Physical Organic Chemistry

Author : John P. Richard
File Size : 21.60 MB
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Advances in Physical Organic Chemistry provides the chemical community with authoritative and critical assessments of the many aspects of physical organic chemistry. The field is a rapidly developing one, with results and methodologies finding application from biology to solid state physics. * Reviews the application of quantitative and mathematical methods towards understanding chemical problems * Multidisciplinary volumes cover organic, organometallic, bioorganic, enzymes and materials topics

Chemical Reactor Modeling

Author : Hugo A. Jakobsen
File Size : 61.8 MB
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This book closes the gap between Chemical Reaction Engineering and Fluid Mechanics. It provides the basic theory for momentum, heat and mass transfer in reactive systems. Numerical methods for solving the resulting equations as well as the interplay between physical and numerical modes are discussed. The book is written using the standard terminology of this community. It is intended for researchers and engineers who want to develop their own codes, or who are interested in a deeper insight into commercial CFD codes in order to derive consistent extensions and to overcome "black box" practice. It can also serve as a textbook and reference book.

Pollution Abstracts

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Chemical Engineering for Renewables Conversion

Author :
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Biomass has received considerable attention as a sustainable feedstock that can replace diminishing fossil fuels for the production of energy and chemicals. At the present moment in the oil refining, petrochemical and chemical industry, after fractionation of crude oil, various fractions are upgraded either to fuels or functionalized to produce intermediates and specialty chemicals. An analogous concept of biorefining is based on the utilization of biomass as a renewable source of carbon, which could be transformed to valuable chemicals. Although various aspects of biomass transformations are frequently discussed in the literature, chemical engineering aspects of such transformations are commonly not considered. The aim of the present book is to fill this void. Updates and informs the reader on the latest research findings using original reviews Written by leading industry experts and scholars Reviews and analyzes developments in the field

Reaction Kinetics and Reactor Design Second Edition

Author : John B. Butt
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This text combines a description of the origin and use of fundamental chemical kinetics through an assessment of realistic reactor problems with an expanded discussion of kinetics and its relation to chemical thermodynamics. It provides exercises, open-ended situations drawing on creative thinking, and worked-out examples. A solutions manual is also available to instructors.