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Author : A. M. Kuznet︠s︡ov (dokt. fiz.-mat. nauk.),Alexander M. Kuznetsov
Publisher : EPFL Press
Page : 284 pages
File Size : 53,6 Mb
Release : 1999-01-01
Category : Charge transfer
ISBN : 2880743796
Author : Jeffrey I. Steinfeld,Joseph Salvadore Francisco,William L. Hase
Publisher : Pearson
Page : 536 pages
File Size : 43,5 Mb
Release : 1999
Category : Science
ISBN : UOM:39015055866415
This text presents a balanced presentation of the macroscopic view of empirical kinetics and the microscopic molecular viewpoint of chemical dynamics. This second edition includes the latest information, as well as new topics such as heterogeneous reactions in atmospheric chemistry, reactant product imaging, and molecular dynamics of H + H2.
Author : Paul L. Houston
Publisher : Courier Corporation
Page : 354 pages
File Size : 54,8 Mb
Release : 2012-10-10
Category : Science
ISBN : 9780486131696
DIVThis text teaches the principles underlying modern chemical kinetics in a clear, direct fashion, using several examples to enhance basic understanding. Solutions to selected problems. 2001 edition. /div
Author : Marko M. Melander,Tomi T. Laurila,Kari Laasonen
Publisher : John Wiley & Sons
Page : 372 pages
File Size : 54,7 Mb
Release : 2021-09-09
Category : Science
ISBN : 9781119605638
Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of including the electrode potential in the computational setup and fixed potential calculations within the framework of grand canonical density functional theory. It examines classical and quantum mechanical models for the solid-liquid interface and formation of an electrochemical double-layer using molecular dynamics and/or continuum descriptions. A thermodynamic description of the interface and reactions taking place at the interface as a function of the electrode potential is provided, as are novel ways to describe rates of heterogeneous electron transfer, proton-coupled electron transfer, and other electrocatalytic reactions. The book also covers multiscale modelling, where atomic level information is used for predicting experimental observables to enable direct comparison with experiments, to rationalize experimental results, and to predict the following electrochemical performance. Uniquely explains how to understand, predict, and optimize the properties and reactivity of electrochemical interfaces starting from the atomic scale Uses an engaging “tutorial style” presentation, highlighting a solid physicochemical background, computational implementation, and applications for different methods, including merits and limitations Bridges the gap between experimental electrochemistry and computational atomistic modelling Written by a team of experts within the field of computational electrochemistry and the wider computational condensed matter community, this book serves as an introduction to the subject for readers entering the field of atom-level electrochemical modeling, while also serving as an invaluable reference for advanced practitioners already working in the field.
Author : Herbert DaCosta,Maohong Fan
Publisher : John Wiley & Sons
Page : 310 pages
File Size : 40,7 Mb
Release : 2011-12-28
Category : Science
ISBN : 9781118166116
Providing an overview of the latest computational approaches to estimate rate constants for thermal reactions, this book addresses the theories behind various first-principle and approximation methods that have emerged in the last twenty years with validation examples. It presents in-depth applications of those theories to a wide range of basic and applied research areas. When doing modeling and simulation of chemical reactions (as in many other cases), one often has to compromise between higher-accuracy/higher-precision approaches (which are usually time-consuming) and approximate/lower-precision approaches (which often has the advantage of speed in providing results). This book covers both approaches. It is augmented by a wide-range of applications of the above methods to fuel combustion, unimolecular and bimolecular reactions, isomerization, polymerization, and to emission control of nitrogen oxides. An excellent resource for academics and industry members in physical chemistry, chemical engineering, and related fields.
Author : Allen J. Bard,György Inzelt,Fritz Scholz
Publisher : Springer Science & Business Media
Page : 994 pages
File Size : 44,6 Mb
Release : 2012-10-02
Category : Science
ISBN : 9783642295515
This second edition of the highly successful dictionary offers more than 300 new or revised terms. A distinguished panel of electrochemists provides up-to-date, broad and authoritative coverage of 3000 terms most used in electrochemistry and energy research as well as related fields, including relevant areas of physics and engineering. Each entry supplies a clear and precise explanation of the term and provides references to the most useful reviews, books and original papers to enable readers to pursue a deeper understanding if so desired. Almost 600 figures and illustrations elaborate the textual definitions. The “Electrochemical Dictionary” also contains biographical entries of people who have substantially contributed to electrochemistry. From reviews of the first edition: ‘the creators of the Electrochemical Dictionary have done a laudable job to ensure that each definition included here has been defined in precise terms in a clear and readily accessible style’ (The Electric Review) ‘It is a must for any scientific library, and a personal purchase can be strongly suggested to anybody interested in electrochemistry’ (Journal of Solid State Electrochemistry) ‘The text is readable, intelligible and very well written’ (Reference Reviews)
Author : Vladimir S. Bagotsky
Publisher : John Wiley & Sons
Page : 752 pages
File Size : 50,8 Mb
Release : 2005-12-02
Category : Science
ISBN : 9780471741985
Fundamentals of Electrochemistry provides the basic outline of most topics of theoretical and applied electrochemistry for students not yet familiar with this field, as well as an outline of recent and advanced developments in electrochemistry for people who are already dealing with electrochemical problems. The content of this edition is arranged so that all basic information is contained in the first part of the book, which is now rewritten and simplified in order to make it more accessible and used as a textbook for undergraduate students. More advanced topics, of interest for postgraduate levels, come in the subsequent parts. This updated second edition focuses on experimental techniques, including a comprehensive chapter on physical methods for the investigation of electrode surfaces. New chapters deal with recent trends in electrochemistry, including nano- and micro-electrochemistry, solid-state electrochemistry, and electrocatalysis. In addition, the authors take into account the worldwide renewal of interest for the problem of fuel cells and include chapters on batteries, fuel cells, and double layer capacitors.
Author : Ben Greenebaum,Frank Barnes
Publisher : CRC Press
Page : 755 pages
File Size : 53,5 Mb
Release : 2018-11-02
Category : Technology & Engineering
ISBN : 9781351737531
The two volumes of this new edition of the Handbook cover the basic biological, medical, physical, and electrical engineering principles. They also include experimental results concerning how electric and magnetic fields affect biological systems—both as potential hazards to health and potential tools for medical treatment and scientific research. They also include material on the relationship between the science and the regulatory processes concerning human exposure to the fields. Like its predecessors, this edition is intended to be useful as a reference book but also for introducing the reader to bioelectromagnetics or some of its aspects. FEATURES • New topics include coverage of electromagnetic effects in the terahertz region, effects on plants, and explicitly applying feedback concepts to the analysis of biological electromagnetic effects • Expanded coverage of electromagnetic brain stimulation, characterization and modeling of epithelial wounds, and recent lab experiments on at all frequencies • Section on background for setting standards and precautionary principle • Discussion of recent epidemiological, laboratory, and theoretical results; including: WHO IARC syntheses of epidemiological results on both high and low frequency fields, IITRI lab study of cancer in mice exposed to cell phone-like radiation, and other RF studies • All chapters updated by internationally acknowledged experts in the field
Author : Gábor Lente
Publisher : Springer
Page : 142 pages
File Size : 50,8 Mb
Release : 2015-03-09
Category : Science
ISBN : 9783319154824
This book gives a concise overview of the mathematical foundations of kinetics used in chemistry and systems biology. The analytical and numerical methods used to solve complex rate equations with the widely used deterministic approach will be described, with primary focus on practical aspects important in designing experimental studies and the evaluation of data. The introduction of personal computers transformed scientific attitudes in the last two decades considerably as computational power ceased to be a limiting factor. Despite this improvement, certain time-honored approximations in solving rate equations such as the pre-equilibrium or the steady-state approach are still valid and necessary as they concern the information content of measured kinetic traces. The book shows the role of these approximations in modern kinetics and will also describe some common misconceptions in this field.
Author : Amnon Kohen,Hans-Heinrich Limbach
Publisher : CRC Press
Page : 1092 pages
File Size : 48,5 Mb
Release : 2005-11-01
Category : Medical
ISBN : 9781420028027
The field of isotope effects has expanded exponentially in the last decade, and researchers are finding isotopes increasingly useful in their studies. Bringing literature on the subject up to date, Isotope Effects in Chemistry and Biology covers current principles, methods, and a broad range of applications of isotope effects in the physical, biolo
Author : Santosh K. Upadhyay
Publisher : Springer Science & Business Media
Page : 256 pages
File Size : 41,5 Mb
Release : 2007-04-29
Category : Science
ISBN : 9781402045479
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.
Author : A. M. Kuznet͡sov (dokt. fiz.-mat. nauk.)
Publisher : EPFL Press
Page : 120 pages
File Size : 53,7 Mb
Release : 1997-01-01
Category : Charge transfer
ISBN : 2880743206
Author : Alexei A Kornyshev,Mario P Tosi,Jens Ulstrup
Publisher : World Scientific
Page : 426 pages
File Size : 41,8 Mb
Release : 1997-07-15
Category : Electronic
ISBN : 9789814546669
An elementary act of charge transfer determines a variety of phenomena in physics, chemistry and biology. The study of charge transfer processes has developed together with general progress in theoretical physics and in fast high resolution spectroscopy, so that research deals now with a broad class of systems, materials and environmental conditions. The specific topics covered are: (1) the environment and reactant-environment interaction at bulk and interfaces; (2) the elementary act of electron and proton transfer; homogeneous and heterogeneous processes; (3) processes of ion and heavy group transfer; ion transport in complex systems; (4) artificially and naturally organized charge transfer in physics, chemistry and biology, technological applications (molecular electronics, sensors, modified electrodes, membrane transport).
Author : Peter Jordan
Publisher : Springer Science & Business Media
Page : 375 pages
File Size : 51,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9781461590989
This book began as a program of self-education. While teaching under graduate physical chemistry, I became progressively more dissatisfied with my approach to chemical kinetics. The solution to my problem was to write a detailed set of lecture notes which covered more material, in greater depth, than could be presented in undergraduate physical chemistry. These notes are the foundation upon which this book is built. My background led me to view chemical kinetics as closely related to transport phenomena. While the relationship of these topics is well known, it is often ignored, except for brief discussions of irreversible thermody namics. In fact, the physics underlying such apparently dissimilar processes as reaction and energy transfer is not so very different. The intermolecular potential is to transport what the potential-energy surface is to reactivity. Instead of beginning the sections devoted to chemical kinetics with a discussion of various theories, I have chosen to treat phenomenology and mechanism first. In this way the essential unity of kinetic arguments, whether applied to gas-phase or solution-phase reaction, can be emphasized. Theories of rate constants and of chemical dynamics are treated last, so that their strengths and weaknesses may be more clearly highlighted. The book is designed for students in their senior year or first year of graduate school. A year of undergraduate physical chemistry is essential preparation. While further exposure to chemical thermodynamics, statistical thermodynamics, or molecular spectroscopy is an asset, it is not necessary.
Author : William A. Cramer,Toivo Kallas
Publisher : Springer
Page : 739 pages
File Size : 51,9 Mb
Release : 2016-06-14
Category : Science
ISBN : 9789401774819
An Introduction that describes the origin of cytochrome notation also connects to the history of the field, focusing on research in England in the pre-World War II era. The start of the modern era of studies on structure-function of cytochromes and energy-transducing membrane proteins was marked by the 1988 Nobel Prize in Chemistry, given to J. Deisenhofer, H. Michel, and R. Huber for determination of the crystal structure of the bacterial photosynthetic reaction center. An ab initio logic of presentation in the book discusses the evolution of cytochromes and hemes, followed by theoretical perspectives on electron transfer in proteins and specifically in cytochromes. There is an extensive description of the molecular structures of cytochromes and cytochrome complexes from eukaryotic and prokaryotic sources, bacterial, plant and animal. The presentation of atomic structure information has a major role in these discussions, and makes an important contribution to the broad field of membrane protein structure-function.
