Modeling of Chemical Kinetics and Reactor Design

Modeling of Chemical Kinetics and Reactor Design

Author: A. Kayode Coker

Publisher: Gulf Professional Publishing

Published: 2001-07-26

Total Pages: 1132

ISBN-13: 9780884154815

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This reference conveys a basic understanding of chemical reactor design methodologies that incorporate both control and hazard analysis. It demonstrates how to select the best reactor for any particular chemical reaction, and how to estimate its size to determine the best operating conditions.


Comprehensive Chemical Kinetics

Comprehensive Chemical Kinetics

Author: Nicholas Green

Publisher: Elsevier

Published: 2003-11-21

Total Pages: 263

ISBN-13: 0080543448

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Unimolecular reactions are in principle the simplest chemical reactions, because they only involve one molecule. The basic mechanism, in which the competition between the chemical reaction step and a collisional deactivation leads to a pressure-dependent coefficient, has been understood for a long time. However, this is a rapidly developing field, and many new and important discoveries have been made in the past decade.This First Part Part of Two CCK Volumes dealing with Unimolecular Rections, deals with the Reaction Step. The first chapter is an introduction to the whole project, aiming to cover the material necessary to understand the content of the detailed chapters, as well as the history of the development of the area. Chapter 2 is a review of the modern view of the statistical theories, as embodied in the various forms of RRKM theory. Chapter 3 deals with the fully quantum mechanical view of reactive states as resonances.. Presents considerable advances in the field made during the last decade.. Treats both the statistical as well as the fully quantum mechanical view.


Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion

Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion

Author:

Publisher: Elsevier

Published: 2019-06-21

Total Pages: 1034

ISBN-13: 0128195797

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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


Analysis of Kinetic Reaction Mechanisms

Analysis of Kinetic Reaction Mechanisms

Author: Tamás Turányi

Publisher: Springer

Published: 2014-12-29

Total Pages: 369

ISBN-13: 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.


Kinetic Analysis of Food Systems

Kinetic Analysis of Food Systems

Author: Alejandro G. Marangoni

Publisher: Springer

Published: 2017-02-15

Total Pages: 179

ISBN-13: 3319512927

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This text provides a comprehensive and thorough overview of kinetic modelling in food systems, which will allow researchers to further their knowledge on the chemistry and practical use of modelling techniques. The main emphasis is on performing kinetic analyses and creating models, employing a hands-on approach focused on putting the content discussed to direct use. The book lays out the requisite basic information and data surrounding kinetic modelling, presents examples of applications to different problems and provides exercises that can be solved utilizing the data provided. Kinetic Analysis of Food Systems pursues a practical approach to kinetic analysis, providing helpful exercises involving chlorophyll degradation in processed vegetables, metabolic oscillations and sugar accumulation in cold-stored potatoes, transesterification of oils to manufacture biodiesel, aggregation of whey proteins to make protein gels and crystallization of fat stabilizers used in nut butters, among others. The book lays out the basics of kinetic modelling and develops several new models for the study of these complex systems. Taken together with the accompanying exercises, they offer a full portrait of kinetic analysis, from its basic scientific groundwork to its application.


Global Chemical Kinetics of Fossil Fuels

Global Chemical Kinetics of Fossil Fuels

Author: Alan K. Burnham

Publisher: Springer

Published: 2017-02-11

Total Pages: 323

ISBN-13: 3319496344

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This book covers the origin and chemical structure of sedimentary organic matter, how that structure relates to appropriate chemical reaction models, how to obtain reaction data uncontaminated by heat and mass transfer, and how to convert that data into global kinetic models that extrapolate over wide temperature ranges. It also shows applications for in-situ and above-ground processing of oil shale, coal and other heavy fossil fuels. It is essential reading for anyone who wants to develop and apply reliable chemical kinetic models for natural petroleum formation and fossil fuel processing and is designed for course use in petroleum systems modelling. Problem sets, examples and case studies are included to aid in teaching and learning. It presents original work and contains an extensive reanalysis of data from the literature.


Kinetic Modeling of Reactions In Foods

Kinetic Modeling of Reactions In Foods

Author: Martinus A.J.S. van Boekel

Publisher: CRC Press

Published: 2008-12-18

Total Pages: 788

ISBN-13: 1420017411

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The level of quality that food maintains as it travels down the production-to-consumption path is largely determined by the chemical, biochemical, physical, and microbiological changes that take place during its processing and storage. Authored by an internationally respected food quality expert, Kinetic Modeling of Reactions in Foods demonstrates


Chemical Reaction Kinetics

Chemical Reaction Kinetics

Author: Jorge Ancheyta

Publisher: John Wiley & Sons

Published: 2017-08-07

Total Pages: 309

ISBN-13: 1119226643

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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.


Chemical Kinetics and Reaction Dynamics

Chemical Kinetics and Reaction Dynamics

Author: Santosh K. Upadhyay

Publisher: Springer Science & Business Media

Published: 2007-04-29

Total Pages: 256

ISBN-13: 1402045476

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Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.