analysis of kinetic reaction mechanisms

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Analysis Of Kinetic Reaction Mechanisms

Author : Tamas Turanyi
ISBN : 9783662445624
Genre : Science
File Size : 27. 68 MB
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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.

Chemical Kinetics And Mechanism

Author : Michael Mortimer
ISBN : 0854046704
Genre : Science
File Size : 21. 65 MB
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Annotation This book considers the role of the rate of reaction, starting with an introduction to chemical kinetics (measuring rates of reaction, order of reaction, reaction mechanisms). It then illustrates how the outcome of predictions can be made, where this is determined by the reaction rate. The concept of the functional group is introduced and is followed by a discussion of the characteristic reactions of several functional groups and the common mechanisms of organic reactions, substitution and elimination. An interactive CD-ROM accompanies the book. This book is part of The Molecular World series which aims to provide a broad foundation in chemistry.

Chemical Reaction Kinetics

Author : Jorge Ancheyta
ISBN : 9781119226642
Genre : Science
File Size : 68. 60 MB
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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.

Catalytic Kinetics

Author : Dmitry Yu Murzin
ISBN : 9780444634634
Genre : Technology & Engineering
File Size : 62. 64 MB
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Catalytic Kinetics: Chemistry and Engineering, Second Edition offers a unified view that homogeneous, heterogeneous, and enzymatic catalysis form the cornerstone of practical catalysis. The book has an integrated, cross-disciplinary approach to kinetics and transport phenomena in catalysis, but still recognizes the fundamental differences between different types of catalysis. In addition, the book focuses on a quantitative chemical understanding and links the mathematical approach to kinetics with chemistry. A diverse group of catalysts is covered, including catalysis by acids, organometallic complexes, solid inorganic materials, and enzymes, and this fully updated second edition contains a new chapter on the concepts of cascade catalysis. Finally, expanded content in this edition provides more in-depth discussion, including topics such as organocatalysis, enzymatic kinetics, nonlinear dynamics, solvent effects, nanokinetics, and kinetic isotope effects. Fully revised and expanded, providing the latest developments in catalytic kinetics Bridges the gaps that exist between hetero-, homo- and enzymatic-catalysis Provides necessary tools and new concepts for researchers already working in the field of catalytic kinetics Written by internationally-renowned experts in the field Examples and exercises following each chapter make it suitable as an advanced course book

Kinetic Models Of Catalytic Reactions

Author : G.S. Yablonskii
ISBN : 0080868266
Genre : Science
File Size : 88. 44 MB
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This book has been written by a group of mathematicians and chemists whose common interest is in the complex dynamics of catalytic reactions. Based on developments in mathematical chemistry, a general theory is described that allows the investigation of the relationships between the kinetic characteristics of complex reactions and their detailed reaction mechanism. Furthermore, a comprehensive analysis is made of some typical mechanism of catalytic reactions, in particular for the oxidation of carbon monoxide on platinum metals. In fact, the book presents three kinetics: (a) detailed, oriented to the elucidation of a detailed reaction mechanism according to its kinetic laws; (b) applied, with the aim of obtaining kinetic relationships for the further design of chemical reactors; and (c) mathematical kinetics whose purpose is the analysis of mathematical models for heterogeneous catalytic reactions taking place under steady- or unsteady-state conditions.

Determination Of Complex Reaction Mechanisms

Author : John Ross
ISBN : 9780195178685
Genre : Science
File Size : 76. 79 MB
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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.

Modeling Of Chemical Kinetics And Reactor Design

Author : A. Kayode Coker
ISBN : 0884154815
Genre : Technology & Engineering
File Size : 42. 59 MB
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Selecting the best type of reactor for any particular chemical reaction, taking into consideration safety, hazard analysis, scale-up, and many other factors is essential to any industrial problem. An understanding of chemical reaction kinetics and the design of chemical reactors is key to the success of the of the chemist and the chemical engineer in such an endeavor. This valuable reference volume conveys a basic understanding of chemical reactor design methodologies, incorporating control, hazard analysis, and other topics not covered in similar texts. In addition to covering fluid mixing, the treatment of wastewater, and chemical reactor modeling, the author includes sections on safety in chemical reaction and scale-up, two topics that are often neglected or overlooked. As a real-world introduction to the modeling of chemical kinetics and reactor design, the author includes a case study on ammonia synthesis that is integrated throughout the text. The text also features an accompanying CD, which contains computer programs developed to solve modeling problems using numerical methods. Students, chemists, technologists, and chemical engineers will all benefit from this comprehensive volume. Shows readers how to select the best reactor design, hazard analysis, and safety in design methodology Features computer programs developed to solve modeling problems using numerical methods

Analysis Of Kinetic Data

Author : E. S. Swinbourne
ISBN : 9781468476859
Genre : Science
File Size : 60. 35 MB
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Data analysis is important from two points of view: first, it enables a large mass of information to be reduced to a reasonable compass, and second, it assists in the interpretation of experimental results against some framework of theory. The purpose of this text is to provide a practical introduction to numerical methods of data analysis which have applica tion in the field of experimental chemical kinetics. Recognizing that kinetic data have many features in common with data derived from other sources, I have considered it appropriate to discuss a selection of general methods of data analysis in the early chapters of the text. It is the author's experience that an outline of these methods is not always easy to locate in summary form, and that their usefulness is often not sufficiently appreciated. Inclusion of these methods in the early chapters has been aimed at simplifying discussion in the later chapters which are more particularly concerned with kinetic systems. By the provision of a number of worked examples and problems, it is hoped that the reader will develop a feeling for the range of methods available and for their relative merits. Throughout the text, the mathematical treatment has been kept relatively simple, lengthy proofs being avoided. I have preferred to indicate the 'sense' and usefulness of the various methods rather than to justify them on strict mathematical grounds.

Principles Of Chemical Kinetics

Author : Gorden Hammes
ISBN : 9780323157964
Genre : Science
File Size : 52. 36 MB
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Principles of Chemical Kinetics is devoted to the principles and applications of chemical kinetics. The phenomenology and commonly used theories of chemical kinetics are presented in a critical manner, with particular emphasis on collision dynamics. How and what mechanistic information can be obtained from various experimental approaches is stressed throughout this book. Comprised of nine chapters, this text opens with an overview of reaction rates and their empirical analysis, along with theories of chemical kinetics. The following chapters consider reactions and unimolecular decompositions in the gas phase; chemical reactions in molecular beams; and energy transfer and partitioning in chemical reactions. Kinetics in liquid solutions and fast reactions in liquids are also described. The final chapter looks at the kinetics of enzymes, with particular reference to steady state and transient state kinetics, the pH and temperature dependence of kinetic parameters, and the mechanism underlying enzymatic action. This monograph is intended for students with a general college background in chemistry, physics, and mathematics, and with a typical undergraduate course in physical chemistry.

Principles Of Chemical Kinetics

Author : James E. House
ISBN : 0080550509
Genre : Science
File Size : 83. 27 MB
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James House's revised Principles of Chemical Kinetics provides a clear and logical description of chemical kinetics in a manner unlike any other book of its kind. Clearly written with detailed derivations, the text allows students to move rapidly from theoretical concepts of rates of reaction to concrete applications. Unlike other texts, House presents a balanced treatment of kinetic reactions in gas, solution, and solid states. The entire text has been revised and includes many new sections and an additional chapter on applications of kinetics. The topics covered include quantitative relationships between molecular structure and chemical activity, organic/inorganic chemistry, biochemical kinetics, surface kinetics and reaction mechanisms. Chapters also include new problems, with answers to selected questions, to test the reader's understanding of each area. A solutions manual with answers to all questions is available for instructors. A useful text for both students and interested readers alike, Dr. House has once again written a comprehensive text simply explaining an otherwise complicated subject. Provides an introduction to all the major areas of kinetics and demonstrates the use of these concepts in real life applications Detailed derivations of formula are shown to help students with a limited background in mathematics Presents a balanced treatment of kinetics of reactions in gas phase, solutions and solids Solutions manual available for instructors

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