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Materials Kinetics: Transport and Rate Phenomena provides readers with a clear understanding of how physical-chemical principles are applied to fundamental kinetic processes. The book integrates advanced concepts with foundational knowledge and cutting-edge computational approaches, demonstrating how diffusion, morphological evolution, viscosity, relaxation and other kinetic phenomena can be applied to practical materials design problems across all classes of materials. The book starts with an overview of thermodynamics, discussing equilibrium, entropy, and irreversible processes. Subsequent chapters focus on analytical and numerical solutions of the diffusion equation, covering Fick’s laws, multicomponent diffusion, numerical solutions, atomic models, and diffusion in crystals, polymers, glasses, and polycrystalline materials. Dislocation and interfacial motion, kinetics of phase separation, viscosity, and advanced nucleation theories are examined next, followed by detailed analyses of glass transition and relaxation behavior. The book concludes with a series of chapters covering molecular dynamics, energy landscapes, broken ergodicity, chemical reaction kinetics, thermal and electrical conductivities, Monte Carlo simulation techniques, and master equations. Covers the full breadth of materials kinetics, including organic and inorganic materials, solids and liquids, theory and experiments, macroscopic and microscopic interpretations, and analytical and computational approaches Demonstrates how diffusion, viscosity microstructural evolution, relaxation, and other kinetic phenomena can be leveraged in the practical design of new materials Provides a seamless connection between thermodynamics and kinetics Includes practical exercises that reinforce key concepts at the end of each chapter
A classroom-tested textbook providing a fundamental understandingof basic kinetic processes in materials This textbook, reflecting the hands-on teaching experience of itsthree authors, evolved from Massachusetts Institute of Technology'sfirst-year graduate curriculum in the Department of MaterialsScience and Engineering. It discusses key topics collectivelyrepresenting the basic kinetic processes that cause changes in thesize, shape, composition, and atomistic structure of materials.Readers gain a deeper understanding of these kinetic processes andof the properties and applications of materials. Topics are introduced in a logical order, enabling students todevelop a solid foundation before advancing to more sophisticatedtopics. Kinetics of Materials begins with diffusion, offering adescription of the elementary manner in which atoms and moleculesmove around in solids and liquids. Next, the more complex motion ofdislocations and interfaces is addressed. Finally, still morecomplex kinetic phenomena, such as morphological evolution andphase transformations, are treated. Throughout the textbook, readers are instilled with an appreciationof the subject's analytic foundations and, in many cases, theapproximations commonly used in the field. The authors offer manyextensive derivations of important results to help illuminate theirorigins. While the principal focus is on kinetic phenomena incrystalline materials, select phenomena in noncrystalline materialsare also discussed. In many cases, the principles involved apply toall materials. Exercises with accompanying solutions are provided throughoutKinetics of Materials, enabling readers to put their newfoundknowledge into practice. In addition, bibliographies are offeredwith each chapter, helping readers to investigate specializedtopics in greater detail. Several appendices presenting importantbackground material are also included. With its unique range of topics, progressive structure, andextensive exercises, this classroom-tested textbook provides anenriching learning experience for first-year graduate students.
This book is a progressive presentation of kinetics of the chemical reactions. It provides complete coverage of the domain of chemical kinetics, which is necessary for the various future users in the fields of Chemistry, Physical Chemistry, Materials Science, Chemical Engineering, Macromolecular Chemistry and Combustion. It will help them to understand the most sophisticated knowledge of their future job area. Over 15 chapters, this book present the fundamentals of chemical kinetics, its relations with reaction mechanisms and kinetic properties. Two chapters are then devoted to experimental results and how to calculate the kinetic laws in both homogeneous and heterogeneous systems. The following two chapters describe the main approximation modes to calculate these laws. Three chapters are devoted to elementary steps with the various classes, the principles used to write them and their modeling using the theory of the activated complex in gas and condensed phases. Three chapters are devoted to the particular areas of chemical reactions, chain reactions, catalysis and the stoichiometric heterogeneous reactions. Finally the non-steady-state processes of combustion and explosion are treated in the final chapter.
This handbook offers a practical guide to the principles of quantitative analysis in biological experiments. The material is primarily aimed at working molecular biologists, but the scope and clarity of presentation make it equally suitable as an introduction for students. Topics covered range from the basics — such as measuring the concentrations of macromolecules — through considerations of binding constants and the kinetics of molecular interactions. The book ends with a thorough consideration of data analysis.
KINETICS OF MATERIALS A CLASSROOM-TESTED TEXTBOOK PROVIDING A FUNDAMENTAL UNDERSTANDING OF BASIC KINETIC PROCESSES IN MATERIALS This textbook, reflecting the hands-on teaching experience of its three authors, evolved from Massachusetts Institute of Technology’s first-year graduate curriculum in the Department of Materials Science and Engineering. It discusses key topics collectively representing the basic kinetic processes that cause changes in the size, shape, composition, and atomistic structure of materials. Readers gain a deeper understanding of these kinetic processes and of the properties and applications of materials. Topics are introduced in a logical order, enabling students to develop a solid foundation before advancing to more sophisticated topics. Kinetics of Materials begins with diffusion. offering a description of the elementary manner in which atoms and molecules move around in solids and liquids. Next, the more complex motion of dislocations and interfaces is addressed. Finally, still more complex kinetic phenomena, such as morphological evolution and phase transformations, are treated. Throughout the textbook, readers are instilled with an appreciation of the subjects analytic foundations and, in many cases, the approximations commonly used in the field. The authors offer many extensive derivations of important results to help illuminate their origins. While the principal focus is on kinetic phenomena in crystalline materials, select phenomena in noncrystalline materials are also discussed. In many cases, the principles involved apply to all materials. Exercises with accompanying solutions are provided throughout Kinetics of Materials, enabling readers to put their newfound knowledge into practice. In addition, bibliographies are offered with each chapter, helping readers to investigate specialized topics in greater detail. Several appendices presenting important background material are also included. With its unique range of topics, progressive structure, and extensive exercises, this classroom- tested textbook provides an enriching learning experience for first-year graduate students.
Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies. Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events Uses graphics and explicit examples to explain concepts Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises
The symposium "Reaction Kinetics and the Development of Catalytic Processes" is the continuation of the very successful International Symposium "Dynamics of Surfaces and Reaction Kinetics in Heterogeneous Catalysis", held in September 1997 in Antwerp, Belgium. These proceedings contain a unique series of top level plenary lectures mainly focused on • the dynamics of catalytic surfaces • the interaction of the reacting molecules with the solid catalyst • the elementary steps of reaction pathways and molecular kinetics. Surface science techniques, molecular modeling, transient kinetic studies, sophisticated and specific reactors are included to a growing extent in the kinetic modeling and the development of catalytic processes. How this is practiced today and how it will evolve in the coming years, and what benefit can be expected for a more fundamentally based approach is the aim of the symposium.
Fifty years ago, a new approach to reaction kinetics began to emerge: one based on mathematical models of reaction kinetics, or formal reaction kinetics. Since then, there has been a rapid and accelerated development in both deterministic and stochastic kinetics, primarily because mathematicians studying differential equations and algebraic geometry have taken an interest in the nonlinear differential equations of kinetics, which are relatively simple, yet capable of depicting complex behavior such as oscillation, chaos, and pattern formation. The development of stochastic models was triggered by the fact that novel methods made it possible to measure molecules individually. Now it is high time to make the results of the last half-century available to a larger audience: students of chemistry, chemical engineering and biochemistry, not to mention applied mathematics. Based on recent papers, this book presents the most important concepts and results, together with a wealth of solved exercises. The book is accompanied by the authors’ Mathematica package, ReactionKinetics, which helps both students and scholars in their everyday work, and which can be downloaded from http://extras.springer.com/ and also from the authors’ websites. Further, the large set of unsolved problems provided may serve as a springboard for individual research.
Reaction Kinetics and the Development and Operation of Catalytic Processes is a trendsetter. The Keynote Lectures have been authored by top scientists and cover a broad range of topics like fundamental aspects of surface chemistry, in particular dynamics and spillover, the modeling of reaction mechanisms, with special focus on the importance of transient experimentation and the application of kinetics in reactor design. Fundamental and applied kinetic studies are well represented. More than half of these deal with transient kinetics, a new trend made possible by recent sophisticated experimental equipment and the awareness that transient experimentation provides more information and insight into the microphenomena occurring on the catalyst surface than steady state techniques. The trend is not limited to purely kinetic studies since the great majority of the papers dealing with reactors also focus on transients and even deliberate transient operation. It is to be expected that this trend will continue and amplify as the community becomes more aware of the predictive potential of fundamental kinetics when combined with detailed realistic modeling of the reactor operation.