analysis of kinetic reaction mechanisms

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Analysis Of Kinetic Reaction Mechanisms

Author : Tamás Turányi
ISBN : 9783662445624
Genre : Science
File Size : 82. 86 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 : 69. 61 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.

Analysis Of Kinetic Models Of Chemical Reaction Systems

Author : L. A. Tavadian
ISBN : 1631178652
Genre : Science
File Size : 57. 8 MB
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This book presents the results of the study in the field of kinetic and numerical simulation of complex (multistep) chemical reactions. Numerical analysis methods of kinetic models of multistep chemical reactions are elucidated. Also the new value method of computerized study of the kinetic models of reaction systems is proposed which is distinguished by calculation simplicity, clearness, interpretability of obtained results in the terms of physics and chemistry, and in a variety of solved tasks. The given method of investigations is based on the Hamiltonian systematization of reaction mechanisms which reveals the value (kinetic significance) of individual steps and species, and, as a result, determination of the rational ways to control chemical reactions. The value of individual steps and species is determined as a ratio of the response of selected characteristic dynamic magnitude of a chemical reaction system in a certain point of time to the small disturbance of the rate of individual step and the rate-of-production of species accumulation in the initial point of time.

Reaction Kinetics Exercises Programs And Theorems

Author : János Tóth
ISBN : 9781493986439
Genre :
File Size : 37. 1 MB
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Principles And Applications Of Aquatic Chemistry

Author : François M. M. Morel
ISBN : 0471548960
Genre : Nature
File Size : 50. 95 MB
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Presents aquatic chemistry in a way that is truly useful to those with diverse backgrounds in the sciences. Major improvements to this edition include a complete rewrite of the first three background chapters making them user-friendly. There is less emphasis on mathematics and concepts are illustrated with actual examples to facilitate understanding.

Modeling Of Chemical Kinetics And Reactor Design

Author : A. Kayode Coker
ISBN : 9780080491905
Genre : Technology & Engineering
File Size : 61. 44 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

Chemical Reaction Networks

Author : Oleg N. Temkin
ISBN : 0849328675
Genre : Science
File Size : 64. 40 MB
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Over the last decade, increased attention to reaction dynamics, combined with the intensive application of computers in chemical studies, mathematical modeling of chemical processes, and mechanistic studies has brought graph theory to the forefront of research. It offers an advanced and powerful formalism for the description of chemical reactions and their intrinsic reaction mechanisms. Chemical Reaction Networks: A Graph-Theoretical Approach elegantly reviews and expands upon graph theory as applied to mechanistic theory, chemical kinetics, and catalysis. The authors explore various graph-theoretical approaches to canonical representation, numbering, and coding of elementary steps and chemical reaction mechanisms, the analysis of their topological structure, the complexity estimation, and classification of reaction mechanisms. They discuss topologically distinctive features of multiroute catalytic and noncatalytic and chain reactions involving metal complexes. With it's careful balance of clear language and mathematical rigor, the presentation of the authors' significant original work, and emphasis on practical applications and examples, Chemical Reaction Networks: A Graph Theoretical Approach is both an outstanding reference and valuable tool for chemical research.

Modern Physical Organic Chemistry

Author : Eric V. Anslyn
ISBN : 1891389319
Genre : Science
File Size : 84. 54 MB
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Making explicit the connections between physical organic chemistry and critical fields such as organometallic chemistry, materials chemistry, bioorganic chemistry and biochemistry, this book escorts the reader into an area that has been thoroughly updated in recent times.

Principles Of Chemical Kinetics

Author : James E. House
ISBN : 0080550509
Genre : Science
File Size : 83. 44 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

Survival Guide To General Chemistry

Author : Patrick E. McMahon
ISBN : 9780429819865
Genre : Medical
File Size : 66. 16 MB
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This work evolved over thirty combined years of teaching general chemistry to a variety of student demographics. The focus is not to recap or review the theoretical concepts well described in the available texts.Instead, the topics and descriptions in this book make available specific, detailed step-by-step methods and procedures for solving the major types of problems in general chemistry. Explanations, instructional process sequences, solved examples and completely solved practice problems are greatly expanded, containing significantly more detail than can usually be devoted to in a comprehensive text. Many chapters also provide alternative viewpoints as an aid to understanding. Key Features: The authors have included every major topic in the first semester of general chemistry and most major topics from the second semester. Each is written in a specific and detailed step-by-step process for problem solving, whether mathematical or conceptual Each topic has greatly expanded examples and solved practice problems containing significantly more detail than found in comprehensive texts Includes a chapter designed to eliminate confusion concerning acid/base reactions which often persists through working with acid/base equilibrium Many chapters provide alternative viewpoints as an aid to understanding This book addresses a very real need for a large number of incoming freshman in STEM fields

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