Analysis of Kinetic Reaction Mechanisms

Author: Tamas Turanyi
Publisher: Springer
ISBN: 366244562X
Format: PDF, ePub, Docs
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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
Publisher: Royal Society of Chemistry
ISBN: 9780854046706
Format: PDF, ePub, Mobi
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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.

Determination of Complex Reaction Mechanisms

Author: John Ross
Publisher: Oxford University Press on Demand
ISBN: 0195178688
Format: PDF, ePub, Docs
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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.

Kinetic Models of Catalytic Reactions

Author: G.S. Yablonskii
Publisher: Elsevier
ISBN: 9780080868264
Format: PDF, Kindle
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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.

Advances in Kinetics and Mechanism of Chemical Reactions

Author: Gennady E. Zaikov
Publisher: CRC Press
ISBN: 1466582111
Format: PDF, Kindle
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Advances in Kinetics and Mechanism of Chemical Reactions describes the chemical physics and/or chemistry of ten novel material or chemical systems. These ten novel material or chemical systems are examined in the context of various issues, including structure and bonding, reactivity, transport properties, polymer properties, or biological characteristics. This eclectic survey encompasses a special focus on the associated kinetics, reaction mechanism, or other chemical physics properties of these ten chosen material or chemical systems. The most contemporary chemical physics methods and principles are applied to the characterization of the these ten properties. The coverage is broad, ranging from the study of biopolymers to the analysis of antioxidant and medicinal chemical activity, on the one hand, to the determination of the chemical kinetics of not chemical systems and the characterization of elastic properties of novel nanometer scale material systems on the other. The chemical physics methods used to characterize these ten novel systems are state-of-the-art, and the results should be intriguing to those in the chemistry, physics, and nanoscience fields, include scientists engaged in chemical physics research and the polymer chemistry.

Chemical Kinetics and Inorganic Reaction Mechanisms

Author:
Publisher: Springer Science & Business Media
ISBN: 1441992766
Format: PDF, ePub
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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.

Kinetics of Chemical Reactions

Author: Guy Marin
Publisher: John Wiley & Sons
ISBN: 3527317635
Format: PDF, ePub, Mobi
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This systematic presentation covers both experimental and theoretical kinetic methods, as well as fundamental and applied. The identification of dominant reaction paths, reaction intermediates and rate-determining steps allows a quantification of the effects of reaction conditions and catalyst properties, providing guidelines for catalyst optimization. In addition, the form in which the equations are presented allows for their straightforward implementation for scale-up and chemical reactor design purposes. Throughout, the methodologies given are illustrated by many examples.

Catalytic Kinetics

Author: Dmitry Yu Murzin
Publisher: Elsevier
ISBN: 9780080455464
Format: PDF, ePub, Docs
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Chemistry and chemical technology have been at the heart of the revolutionary developments of the 20th century. The chemical industry has a long history of combining theory (science) and practice (engineering) to create new and useful products. Worldwide, the process industry (which includes chemicals, petrochemicals, petroleum refining, and pharmaceuticals) is a huge, complex, and interconnected global business with an annual production value exceeding 4 trillion dollars. Although in industry special focus is in heterogeneous catalysis, homogeneous, enzymatic, photochemical and electrochemical catalysis should not be overlooked; as the major aim is to produce certain chemicals in the best possible way, applying those types of catalysis, which suit a particular process in the most optimal way. Catalysis according to the very definition of it deals with enhancement of reaction rates, that is, with catalytic kinetics. This book unifies the main sub disciplines forming the cornerstone of catalytic kinetics. * Provides a broad overview catalytic kinetics * Bridges the gaps that exist between hetero-, homo- and bio-catalysis * Written by internationally renowned experts in this field

Modeling of Chemical Kinetics and Reactor Design

Author: A. Kayode Coker
Publisher: Gulf Professional Publishing
ISBN: 9780884154815
Format: PDF, ePub, Docs
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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

Enzyme Kinetics Catalysis and Control

Author: Daniel L. Purich
Publisher: Elsevier
ISBN: 0123809258
Format: PDF
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Far more than a comprehensive treatise on initial-rate and fast-reaction kinetics, this one-of-a-kind desk reference places enzyme science in the fuller context of the organic, inorganic, and physical chemical processes occurring within enzyme active sites. Drawing on 2600 references, Enzyme Kinetics: Catalysis & Control develops all the kinetic tools needed to define enzyme catalysis, spanning the entire spectrum (from the basics of chemical kinetics and practical advice on rate measurement, to the very latest work on single-molecule kinetics and mechanoenzyme force generation), while also focusing on the persuasive power of kinetic isotope effects, the design of high-potency drugs, and the behavior of regulatory enzymes. Historical analysis of kinetic principles including advanced enzyme science Provides both theoretical and practical measurements tools Coverage of single molecular kinetics Examination of force generation mechanisms Discussion of organic and inorganic enzyme reactions