Download or read book THEORY CHEM REACT DYN written by Michael Baer and published by Springer. This book was released on 1985-11-19 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book THEORY CHEM REACT DYN written by Michael Baer and published by Springer. This book was released on 1985-11-19 with total page 254 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Theory of Chemical Reaction Dynamics written by D.C. Clary and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: The calculation of cross sections and rate constants for chemical reactions in the gas phase has long been a major problem in theoretical chemistry. The need for reliable and applicable theories in this field is evident when one considers the significant recent advances that have been made in developing experimental techniques, such as lasers and molecular beams, to probe the microscopic details of chemical reactions. For example, it is now becoming possible to measure cross sections for chemical reactions state selected in the vibrational rotational states of both reactants and products. Furthermore, in areas such as atmospheric, combustion and interstellar chemistry, there is an urgent need for reliable reaction rate constant data over a range of temperatures, and this information is often difficult to obtain in experiments. The classical trajectory method can be applied routinely to simple reactions, but this approach neglects important quantum mechanical effects such as tunnelling and resonances. For all these reasons, the quantum theory of reactive scattering is an area that has received considerable attention recently. This book describes the proceedings of a NATO Advanced Research Workshop held at CECAM, Orsay, France in June, 1985. The Workshop concentrated on a critical examination and discussion of the recent developments in the theory of chemical reaction dynamics, with particular emphasis on quantum theories. Several papers focus on exact theories for reactions.
Download or read book Collision Theory and Statistical Theory of Chemical Reactions written by S. G. Christov and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the discovery of quantum mechanics,more than fifty years ago,the theory of chemical reactivity has taken the first steps of its development. The knowledge of the electronic structure and the properties of atoms and molecules is the basis for an un derstanding of their interactions in the elementary act of any chemical process. The increasing information in this field during the last decades has stimulated the elaboration of the methods for evaluating the potential energy of the reacting systems as well as the creation of new methods for calculation of reaction probabili ties (or cross sections) and rate constants. An exact solution to these fundamental problems of theoretical chemistry based on quan tum mechanics and statistical physics, however, is still impossible even for the simplest chemical reactions. Therefore,different ap proximations have to be used in order to simplify one or the other side of the problem. At present, the basic approach in the theory of chemical reactivity consists in separating the motions of electrons and nu clei by making use of the Born-Oppenheimer adiabatic approximation to obtain electronic energy as an effective potential for nuclear motion. If the potential energy surface is known, one can calculate, in principle, the reaction probability for any given initial state of the system. The reaction rate is then obtained as an average of the reaction probabilities over all possible initial states of the reacting ~artic1es. In the different stages of this calculational scheme additional approximations are usually introduced.
Download or read book Chemical Kinetics and Reaction Dynamics written by Santosh K. Upadhyay and published by Springer Science & Business Media. This book was released on 2007-04-29 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Unimolecular Reaction Dynamics written by Tomas Baer and published by Oxford University Press. This book was released on 1996-06-27 with total page 447 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a penetrating and comprehensive description of energy selected reactions from a theoretical as well as experimental view. Three major aspects of unimolecular reactions involving the preparation of the reactants in selected energy states, the rate of dissociation of the activated molecule, and the partitioning of the excess energy among the final products, are fully discussed with the aid of 175 illustrations and over 1,000 references, most from the recent literature. Examples of both neutral and ionic reactions are presented. Many of the difficult topics are discussed at several levels of sophistication to allow access by novices as well as experts. Among the topics covered for the first time in monograph form is a discussion of highly excited vibrational/rotational states and intramolecular vibrational energy redistribution. Problems associated with the application of RRKM theory are discussed with the aid of experimental examples. Detailed comparisons are also made between different statistical models of unimolecular decomposition. Both quantum and classical models not based on statistical assumptions are described. Finally, a chapter devoted to the theory of product energy distribution includes the application of phase space theory to the dissociation of small and large clusters. The work will be welcomed as a valuable resource by practicing researchers and graduate students in physical chemistry, and those involved in the study of chemical reaction dynamics.
Download or read book Theory of Chemical Reaction Dynamics written by Antonio Laganà and published by Springer Science & Business Media. This book was released on 2006-03-28 with total page 498 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Research Workshop, held in Balatonföldvár, Hungary, 8-12 June 2003
Download or read book Theoretical Chemistry written by Henry Eyring and published by Elsevier. This book was released on 2013-10-22 with total page 311 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theoretical Chemistry: Periodicities in Chemistry and Biology, Volume 4 covers the aspects of theoretical chemistry. The book discusses the stably rotating patterns of reaction and diffusion; the chemistry of inorganic systems exhibiting nonmonotonic behavior; and population cycles. The text also describes the mathematical modeling of excitable media in neurobiology and chemistry; oscillating enzyme reactions; and oscillatory properties and excitability of the heart cell membrane. Selected topics from the theory of physico-chemical instabilities are also encompassed. Chemists, mechanical engineers, and mathematicians will find the book useful.
Download or read book AP Chemistry with Online Tests written by Neil D. Jespersen and published by Simon and Schuster. This book was released on 2020-07-07 with total page 753 pages. Available in PDF, EPUB and Kindle. Book excerpt: Always study with the most up-to-date prep! Look for AP Chemistry Premium, 2022-2023, ISBN 9781506264103, on sale July 06, 2021. Publisher's Note: Products purchased from third-party sellers are not guaranteed by the publisher for quality, authenticity, or access to any online entitles included with the product.
Download or read book Dynamic Energy Budget Theory for Metabolic Organisation written by S. A. L. M. Kooijman and published by Cambridge University Press. This book was released on 2010 with total page 533 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Dynamic Energy Budget theory unifies the commonalities between organisms and links different levels of biological organisation.
Download or read book Theoretical Chemistry written by Douglas W. Henderson and published by Elsevier. This book was released on 2013-10-22 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theoretical Chemistry: Theory of Scattering: Papers in Honor of Henry Eyring, Volume 6, Part A covers the aspects of reactive and nonreactive scattering. The book discusses the applications of classical trajectory to reactive scattering and the accurate quantum calculations of reactive systems. The text also describes the fluctuations in chemically reacting systems, as well as the coupling of electronically adiabatic states in atomic and molecular collisions. Chemists, physicists, people involved in the study of the theory of scattering, and students taking related courses will find the book useful.
Download or read book Dynamics and Control of Chemical Reactors and Distillation Columns written by C. McGreavy and published by Elsevier. This book was released on 2014-05-23 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presents the latest results of both academic and industrial research in the control, modelling and dynamics of two of the most fundamental constituents of all chemical engineering plant. Includes contributions on fixed-bed, gas-phase and tubular reactors, thermal cracking furnaces and distillation columns, related to applications in all major areas of chemical engineering, including petrochemicals and bulk chemical manufacture. Contains 51 papers.
Download or read book Dynamic Energy and Mass Budgets in Biological Systems written by S. A. L. M. Kooijman and published by Cambridge University Press. This book was released on 2000-03-23 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Dynamic Energy Budget theory unifies the commonalties between organisms, as prescribed by the implications of energetics, and links different levels of biological organisation (cells, organisms and populations). The theory presents simple mechanistic rules that describe the uptake and use of energy and nutrients and the consequences for physiological organization throughout an organism's life cycle. All living organisms are covered in a single quantitative framework, the predictions of which are tested against a variety of experimental results at a range of levels of organisation. The theory explains many general observations, such as the body size scaling relationships of certain physiological traits, and provides a theoretical underpinning to the method of indirect calorimetry. In each case, the theory is developed in elementary mathematical terms, but a more detailed discussion of the methodological aspects of mathematical modelling is also included.
Download or read book Chemical Reaction and Reactor Engineering written by James John Carberry and published by CRC Press. This book was released on 2020-08-27 with total page 1086 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents an authoritative progress report that will remain germane to the topic and prove to be a substantial inspiration to further progress. It is valuable to academic and industrial practitioners of the art and science of chemical reaction and reactor engineering.
Download or read book Modeling and Control of Batch Processes written by Prashant Mhaskar and published by Springer. This book was released on 2018-11-28 with total page 335 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modeling and Control of Batch Processes presents state-of-the-art techniques ranging from mechanistic to data-driven models. These methods are specifically tailored to handle issues pertinent to batch processes, such as nonlinear dynamics and lack of online quality measurements. In particular, the book proposes: a novel batch control design with well characterized feasibility properties; a modeling approach that unites multi-model and partial least squares techniques; a generalization of the subspace identification approach for batch processes; and applications to several detailed case studies, ranging from a complex simulation test bed to industrial data. The book’s proposed methodology employs statistical tools, such as partial least squares and subspace identification, and couples them with notions from state-space-based models to provide solutions to the quality control problem for batch processes. Practical implementation issues are discussed to help readers understand the application of the methods in greater depth. The book includes numerous comments and remarks providing insight and fundamental understanding into the modeling and control of batch processes. Modeling and Control of Batch Processes includes many detailed examples of industrial relevance that can be tailored by process control engineers or researchers to a specific application. The book is also of interest to graduate students studying control systems, as it contains new research topics and references to significant recent work. Advances in Industrial Control reports and encourages the transfer of technology in control engineering. The rapid development of control technology has an impact on all areas of the control discipline. The series offers an opportunity for researchers to present an extended exposition of new work in all aspects of industrial control.
Download or read book Theoretical and Computational Chemistry written by Iwona Gulaczyk and published by Walter de Gruyter GmbH & Co KG. This book was released on 2021-06-08 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores the applications of computational chemistry ranging from the pharmaceutical industry and molecular structure determination to spectroscopy and astrophysics. The authors detail how calculations can be used to solve a wide range of practical challenges encountered in research and industry.
Download or read book Reactive Intermediate Chemistry written by Robert A. Moss and published by John Wiley & Sons. This book was released on 2004-01-07 with total page 1088 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reactive Intermediate Chemistry presents a detailed and timely examination of key intermediates central to the mechanisms of numerous organic chemical transformations. Spectroscopy, kinetics, and computational studies are integrated in chapters dealing with the chemistry of carbocations, carbanions, radicals, radical ions, carbenes, nitrenes, arynes, nitrenium ions, diradicals, etc. Nanosecond, picosecond, and femtosecond kinetic realms are explored, and applications of current dynamics and electronic structure calculations are examined. Reactive Intermediate Chemistry provides a deeper understanding of contemporary physical organic chemistry, and will assist chemists in the design of new reactions for the efficient synthesis of pharmaceuticals, fine chemicals, and agricultural products. Among its features, this authoritative volume is: Edited and authored by world-renowned leaders in physical organic chemistry. Ideal for use as a primary or supplemental graduate textbook for courses in mechanistic organic chemistry or physical chemistry. Enhanced by supplemental reading lists and summary overviews in each chapter.
