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Analysis of Kinetic Reaction Mechanisms

Analysis of Kinetic Reaction Mechanisms
Author: Tamás Turányi
Publisher: Springer
Total Pages: 369
Release: 2014-12-29
Genre: Science
ISBN: 366244562X

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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.


Analysis of Kinetic Reaction Mechanisms

Analysis of Kinetic Reaction Mechanisms
Author: Tamás Turányi
Publisher: Springer
Total Pages: 0
Release: 2016-10-06
Genre: Science
ISBN: 9783662520192

Download Analysis of Kinetic Reaction Mechanisms Book in PDF, ePub and Kindle

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.


Chemical Kinetics and Mechanism

Chemical Kinetics and Mechanism
Author: M Mortimer
Publisher: Royal Society of Chemistry
Total Pages: 266
Release: 2007-10-31
Genre: Science
ISBN: 1847557805

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Chemical Kinetics and Mechanism considers the role of rate of reaction. It begins by introducing chemical kinetics and the analysis of reaction mechanism, from basic well-established concepts to leading edge research. Organic reaction mechanisms are then discussed, encompassing curly arrows, nucleophilic substitution and E1 and E2 elimination reactions. The book concludes with a Case Study on Zeolites, which examines their structure and internal dimensions in relation to their behaviour as molecular sieves and catalysts. The accompanying CD-ROM contains the "Kinetics Toolkit", a graph-plotting application designed for manipulation and analysis of kinetic data, which is built into many of the examples, questions and exercises in the text. There are also interactive activities illustrating reaction mechanisms. The Molecular World series provides an integrated introduction to all branches of chemistry for both students wishing to specialise and those wishing to gain a broad understanding of chemistry and its relevance to the everyday world and to other areas of science. The books, with their Case Studies and accompanying multi-media interactive CD-ROMs, will also provide valuable resource material for teachers and lecturers. (The CD-ROMs are designed for use on a PC running Windows 95, 98, ME or 2000.)


Reaction Mechanisms in Environmental Engineering

Reaction Mechanisms in Environmental Engineering
Author: James G. Speight
Publisher: Butterworth-Heinemann
Total Pages: 456
Release: 2018-08-13
Genre: Technology & Engineering
ISBN: 0128006676

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Reaction Mechanisms in Environmental Engineering: Analysis and Prediction describes the principles that govern chemical reactivity and demonstrates how these principles are used to yield more accurate predictions. The book will help users increase accuracy in analyzing and predicting the speed of pollutant conversion in engineered systems, such as water and wastewater treatment plants, or in natural systems, such as lakes and aquifers receiving industrial pollution. Using examples from air, water and soil, the book begins with a clear exposition of the properties of environmental and inorganic organic chemicals that is followed by partitioning and sorption processes and sorption and transformation processes. Kinetic principles are used to calculate or estimate the pollutants' half-lives, while physical-chemical properties of organic pollutants are used to estimate transformation mechanisms and rates. The book emphasizes how to develop an understanding of how physico-chemical and structural properties relate to transformations of organic pollutants. Offers a one-stop source for analyzing and predicting the speed of organic and inorganic reaction mechanisms for air, water and soil Provides the tools and methods for increased accuracy in analyzing and predicting the speed of pollutant conversion in engineered systems Uses kinetic principles and the physical-chemical properties of organic pollutants to estimate transformation mechanisms and rates


Determination of Complex Reaction Mechanisms

Determination of Complex Reaction Mechanisms
Author: John Ross
Publisher: Oxford University Press on Demand
Total Pages: 239
Release: 2006
Genre: Science
ISBN: 0195178688

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Covers the determination of complex reaction mechanisms in chemistry, chemical engineering, biochemistry, biology, biotechnology, and genomics. Topics covered include the pulse method, correlation functions, genetic algorithms, general theory of response methods, prescriptions for oscillatory reactions, and more.


Chemical Kinetics and Reaction Mechanisms

Chemical Kinetics and Reaction Mechanisms
Author: James H. Espenson
Publisher: McGraw-Hill Science, Engineering & Mathematics
Total Pages: 310
Release: 1995
Genre: Science
ISBN:

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Covering chemical kinetics from the working chemist's point of view, this book aims to prepare chemists to devise experiments to test different hypothesis. A number of examples from research literature have been included.


Chemical Reaction Kinetics

Chemical Reaction Kinetics
Author: Jorge Ancheyta
Publisher: John Wiley & Sons
Total Pages: 304
Release: 2017-06-05
Genre: Science
ISBN: 1119226651

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A practical approach to chemical reaction kinetics—from basic concepts to laboratory methods—featuring numerous real-world examples and case studies This book focuses on fundamental aspects of reaction kinetics with an emphasis on mathematical methods for analyzing experimental data and interpreting results. It describes basic concepts of reaction kinetics, parameters for measuring the progress of chemical reactions, variables that affect reaction rates, and ideal reactor performance. Mathematical methods for determining reaction kinetic parameters are described in detail with the help of real-world examples and fully-worked step-by-step solutions. Both analytical and numerical solutions are exemplified. The book begins with an introduction to the basic concepts of stoichiometry, thermodynamics, and chemical kinetics. This is followed by chapters featuring in-depth discussions of reaction kinetics; methods for studying irreversible reactions with one, two and three components; reversible reactions; and complex reactions. In the concluding chapters the author addresses reaction mechanisms, enzymatic reactions, data reconciliation, parameters, and examples of industrial reaction kinetics. Throughout the book industrial case studies are presented with step-by-step solutions, and further problems are provided at the end of each chapter. Takes a practical approach to chemical reaction kinetics basic concepts and methods Features numerous illustrative case studies based on the author’s extensive experience in the industry Provides essential information for chemical and process engineers, catalysis researchers, and professionals involved in developing kinetic models Functions as a student textbook on the basic principles of chemical kinetics for homogeneous catalysis Describes mathematical methods to determine reaction kinetic parameters with the help of industrial case studies, examples, and step-by-step solutions Chemical Reaction Kinetics is a valuable working resource for academic researchers, scientists, engineers, and catalyst manufacturers interested in kinetic modeling, parameter estimation, catalyst evaluation, process development, reactor modeling, and process simulation. It is also an ideal textbook for undergraduate and graduate-level courses in chemical kinetics, homogeneous catalysis, chemical reaction engineering, and petrochemical engineering, biotechnology.


Kinetics and Mechanism

Kinetics and Mechanism
Author: John W. Moore
Publisher: John Wiley & Sons
Total Pages: 486
Release: 1981-09-30
Genre: Science
ISBN: 9780471035589

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The third edition of a classic text originally by Frost and Pearson, that describes the fundamental principles and established practices that apply to the study and the rates and mechanisms of homogeneous chemical reactions in the gas phase and in solution. Incorporates new advances made during the past 20 years in the study of individual molecular collisions by molecular-beam, laser applications to experimental kinetics, theoretical treatments of reaction rates and our understanding of the principles that govern rates of reaction in solution. Presents numerous examples of the deduction of mechanism from experiment, including intimate details such as stereochemistry and the dependence of reaction pathway on the exact energy states of reacting particles.


Chemical Kinetics and Inorganic Reaction Mechanisms

Chemical Kinetics and Inorganic Reaction Mechanisms
Author: Smiljko Asperger
Publisher: Springer Science & Business Media
Total Pages: 363
Release: 2011-06-27
Genre: Science
ISBN: 1441992766

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The serious study of the reaction mechanisms of transition metal com plexes began some five decades ago. Work was initiated in the United States and Great Britain; the pioneers ofthat era were, inalphabetical order, F. Basolo, R. E. Connick, 1. O. Edwards, C. S. Garner, G. P.Haight, W. C. E. Higgision, E.1. King, R. G. Pearson, H. Taube, M.1. Tobe, and R. G. Wilkins.A larger community of research scientists then entered the field, many of them stu dents ofthose just mentioned. Interest spread elsewhere as well, principally to Asia, Canada, and Europe. Before long, the results ofindividual studies were being consolidated into models, many of which traced their origins to the better-established field of mechanistic organic chemistry. For a time this sufficed, but major revisions and new assignments of mechanism became necessary for both ligand sub stitution and oxidation-reduction reactions. Mechanistic inorganic chemistry thus took on a shape of its own. This process has brought us to the present time. Interests have expanded both to include new and more complex species (e.g., metalloproteins) and a wealth of new experimental techniques that have developed mechanisms in ever-finer detail. This is the story the author tells, and in so doing he weaves in the identities of the investigators with the story he has to tell. This makes an enjoyable as well as informative reading.


The Investigation of Organic Reactions and Their Mechanisms

The Investigation of Organic Reactions and Their Mechanisms
Author: Howard Maskill
Publisher: John Wiley & Sons
Total Pages: 392
Release: 2008-04-15
Genre: Science
ISBN: 0470994169

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A range of alternative mechanisms can usually be postulated for most organic chemical reactions, and identification of the most likely requires detailed investigation. Investigation of Organic Reactions and their Mechanisms will serve as a guide for the trained chemist who needs to characterise an organic chemical reaction and investigate its mechanism, but who is not an expert in physical organic chemistry. Such an investigation will lead to an understanding of which bonds are broken, which are made, and the order in which these processes happen. This information and knowledge of the associated kinetic and thermodynamic parameters are central to the development of safe, efficient, and profitable industrial chemical processes, and to extending the synthetic utility of new chemical reactions in chemical and pharmaceutical manufacturing, and academic environments. Written as a coherent account of the principal methods currently used in mechanistic investigations, at a level accessible to academic researchers and graduate chemists in industry, the book is highly practical in approach. The contributing authors, an international group of expert practitioners of the techniques covered, illustrate their contributions by examples from their own research and from the relevant wider chemical literature. The book covers basic aspects such as product analysis, kinetics, catalysis, and investigation of reactive intermediates. It also includes material on significant recent developments, e.g. computational chemistry, calorimetry, and electrochemistry, in addition to topics of high current industrial relevance, e.g. reactions in multiphase systems, and synthetically useful reactions involving free radicals and catalysis by organometallic compounds.