This book addresses primarily the chemist and engineer in industrial research and process development, where competitive pressures put a premium on scale-up by large factors to cut development time. To be safe, such scale-up should be based on "fundamental" kinetics, that is, mathematics that reflect the elementary steps of which the reactions consist. The book forges fundamental kinetics into a practical tool by presenting new effective methods for elucidation of mechanisms and reduction of mathematical complexity without unacceptable sacrifice in accuracy.
This book addresses primarily the engineer in industrial process development, the research chemist in academia and industry, and the graduate student intending to become a reaction engineer. In industry, competitive pressures put a premium on scale-up by large factors to cut development time. To be safe, such development should be based on "fundamental" kinetics that reflect the elementary steps of which the reaction consists. The book forges fundamental kinetics into a practical tool by presenting new, effective methods for elucidation of mechanisms and reduction of complexity without unacceptable sacrifice in accuracy: fewer equations (lesser computational load), fewer coefficients (fewer experiment to determine them). For network elucidation, new rules relating network configurations to observable kinetic behaviour allow incorrect networks to be ruled out by whole classes instead of one by one. For modelling, general equations and algorithms are given from which equations for specific networks can be recovered by simple substitutions. The procedures are illustrated with examples of industrial reactions including, among others, paraffin oxidation, ethoxylation, hydroformylation, hydrocyanation, shape-selective catalysis, ethane pyrolysis, styrene polymerization, and ethene oligomerization. Many of the rate equations have not been published before. The expanded edition of the 2001 title, Kinetics of Homogeneous Multistep Reactions includes new chapters on heterogeneous catalysis and periodic and chaotic re-actions; new sections on adsorption, statistical methods, and lumping; and other new detail. - Contains new chapters on heterogeneous catalysis, oscillations and chaos - Includes new sections on statistical methods, lumping adsorption and software and databases - Provides a better understanding of complex reaction mechanisms
This second, extended and updated edition presents the current state of kinetics of chemical reactions, combining basic knowledge with results recently obtained at the frontier of science. Special attention is paid to the problem of the chemical reaction complexity with theoretical and methodological concepts illustrated throughout by numerous examples taken from heterogeneous catalysis combustion and enzyme processes. Of great interest to graduate students in both chemistry and chemical engineering.
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.
Exploring and highlighting the new horizons in the studies of reaction mechanisms that open joint application of experimental studies and theoretical calculations is the goal of this book. The latest insights and developments in the mechanistic studies of organometallic reactions and catalytic processes are presented and reviewed. The book adopts a unique approach, exemplifying how to use experiments, spectroscopy measurements, and computational methods to reveal reaction pathways and molecular structures of catalysts, rather than concentrating solely on one discipline. The result is a deeper understanding of the underlying reaction mechanism and correlation between molecular structure and reactivity. The contributions represent a wealth of first-hand information from renowned experts working in these disciplines, covering such topics as activation of small molecules, C-C and C-Heteroatom bonds formation, cross-coupling reactions, carbon dioxide converison, homogeneous and heterogeneous transition metal catalysis and metal-graphene systems. With the knowledge gained, the reader will be able to improve existing reaction protocols and rationally design more efficient catalysts or selective reactions. An indispensable source of information for synthetic, analytical, and theoretical chemists in academia and industry.
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.
Handbook of Thermal Analysis and Calorimetry: Recent Advances, Techniques and Applications, Volume Six, Second Edition, presents the latest in a series that has been well received by the thermal analysis and calorimetry community. This volume covers recent advances in techniques and applications that complement the earlier volumes. There has been tremendous progress in the field in recent years, and this book puts together the most high-impact topics selected for their popularity by new editors Sergey Vyazovkin, Nobuyoshi Koga and Christoph Schick—all editors of Thermochimica Acta. Among the important new techniques covered are biomass conversion; sustainable polymers; polymer nanocompsoties; nonmetallic glasses; phase change materials; propellants and explosives; applications to pharmaceuticals; processes in ceramics, metals, and alloys; ionic liquids; fast-scanning calorimetry, and more. - Features 19 all-new chapters to bring readers up to date on the current status of the field - Provides a broad overview of recent progress in the most popular techniques and applications - Includes chapters authored by a recognized leader in each field and compiled by a new team of editors, each with at least 20 years of experience in the field of thermal analysis and calorimetry - Enables applications across a wide range of modern materials, including polymers, metals, alloys, ceramics, energetics and pharmaceutics - Overviews the current status of the field and summarizes recent progress in the most popular techniques and applications
Green Sustainable Process for Chemical and Environmental Engineering and Science: Solid State Synthetic Methods cover recent advances made in the field of solid-state materials synthesis and its various applications. The book provides a brief introduction to the topic and the fundamental principles governing the various methods. Sustainable techniques and green processes development in solid-state chemistry are also highlighted. This book also provides a comprehensive literature on the industrial application using solid-state materials and solid-state devices. Overall, this book is intended to explore green solid-state techniques, eco-friendly materials involved in organic synthesis and real-time applications. - Provides a broad overview of solid-state chemistry - Outlines an eco-friendly solid-state synthesis of modern nanomaterials, organometallic, coordination compounds and pure organic - Gives a detailed account of solid-state chemistry, fundamentals, concepts, techniques and applications - Deliberates cutting-edge recent advances in industrial technologies involved in energy, environmental, medicinal and organic chemistry fields
