Download or read book Reaction Modelling and Calculations in Hot Atom Chemistry written by Johnny Chang and published by . This book was released on 1982 with total page 148 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Modern Hot Atom Chemistry and Its Applications written by T. Tominaga and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 163 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hot-atom chemistry is a unique field of chemistry dealing with highly excited chemical species resulting from nuclear reactions or radioactive decay processes. Modern hot-atom chemistry includes a broad range of disciplines such as fundamental studies from physical chemistry of gas-phase energetic reactions to inorganic solid-state chemistry, as well as recent practical applications in life sciences and energy-related research. In spite of the importance of hot-atom chemistry and its appli cations, its relevance to the other fields of chemistry and related disciplines has attracted little attention and only books and review articles for dedicated hot-atom chemists have been published to date. In this volume, we illustrate the essential aspects of modern hot-atom chemistry for non-specialists, with considerable emphasis on its applications in the related fields. We sincerely hope that this volume can promote mutual understanding and collaboration between hot-atom chemists and researchers in other disciplines. After a brief introduction (Chap. 1) the 2nd chapter gives the non-specialist an idea of experimental techniques commonly used for the production and analysis of hot chemical species. In Chap. 3, we have explained the concepts of hot-atom reac tions in gas, liquid and solid phases with typical examples rather than a comprehensive review of the literature. In view of the current state of accomplishment, the greater part of this chapter is concerned with gas phase studies. Regarding the solid-phase hot atom chemistry, we have confined ourselves only to introducing new concepts and discussing modern aspects.
Download or read book Handbook of Hot Atom Chemistry written by Jean Pierre Adloff and published by . This book was released on 1992 with total page 728 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Reactions written by Antonio Laganà and published by Springer. This book was released on 2018-01-17 with total page 219 pages. Available in PDF, EPUB and Kindle. Book excerpt: This graduate textbook, written by experienced lecturers, features the study and computation of efficient reactive processes. The text begins with the problem of determining the chemical reaction properties by first decomposing complex processes into their elementary components. Next, the problem of two colliding mass points is investigated and relationships between initial conditions and collision outcomes are discussed. The failure of classical approaches to match experimental information is discussed and a quantum formulation of the calculation of the properties of two colliding bodies is provided. The authors go onto describe how the formalism is extended to structured collision partners by discussing the methods used to compute the electronic structure of polyelectronic reactants and products and the formalism of atom diatom reactions. Additionally, the relationships between the features of the potential energy surface and the outcomes of the reactive dynamics, are discussed. Methods for computing quantum, classical, and semi-classical reactive probabilities based on the already discussed concepts and tools are also featured and the resulting main typical reactive behaviors are analyzed. Finally, the possibility of composing the computational tools and technologies needed to tackle more complex simulations as well as the various competences and distributed computing infrastructure needed for developing synergistic approaches to innovation are presented.
Download or read book Summary Report on the Workshop on High Temperature Chemical Kinetics Applications to Combustion Research written by National Measurement Laboratory (U.S.) and published by . This book was released on 1978 with total page 100 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Rate Constant Calculation for Thermal Reactions written by Herbert DaCosta and published by John Wiley & Sons. This book was released on 2011-12-28 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book The Reaction Path in Chemistry Current Approaches and Perspectives written by D. Heidrich and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 303 pages. Available in PDF, EPUB and Kindle. Book excerpt: The so-called reaction path (RP) with respect to the potential energy or the Gibbs energy ("free enthalpy") is one of the most fundamental concepts in chemistry. It significantly helps to display and visualize the results of the complex microscopic processes forming a chemical reaction. This concept is an implicit component of conventional transition state theory (TST). The model of the reaction path and the TST form a qualitative framework which provides chemists with a better understanding of chemical reactions and stirs their imagination. However, an exact calculation of the RP and its neighbourhood becomes important when the RP is used as a tool for a detailed exploring of reaction mechanisms and particularly when it is used as a basis for reaction rate theories above and beyond TST. The RP is a theoretical instrument that now forms the "theoretical heart" of "direct dynamics". It is particularly useful for the interpretation of reactions in common chemical systems. A suitable definition of the RP of potential energy surfaces is necessary to ensure that the reaction theories based on it will possess sufficiently high quality. Thus, we have to consider three important fields of research: - Analysis of potential energy surfaces and the definition and best calculation of the RPs or - at least - of a number of selected and chemically interesting points on it. - The further development of concrete vers ions of reaction theory beyond TST which are applicable for common chemical systems using the RP concept.
Download or read book Progress in Reaction Kinetics written by G. Porter and published by Elsevier. This book was released on 2013-09-11 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress in Reaction Kinetics, Volume 3 presents articles about advances in reaction kinetics. The book begins with a theoretical review of bimolecular reactions, such as the relation between free energy and potential energy surfaces. The text describes reactions of hydrogen atoms in the gas phase; the hot atom chemistry of gas-phase systems; the inhibition of gaseous free radical chain reactions; and vibrational relaxation in gases. Articles about pulse radiolysis; the effects of dose-rate and linear energy transfer in radiation chemistry; and the electronic spectra and kinetics of aromatic free radicals are also considered. The book further tackles the kinetics of polymerization of vinyl monomers by lithium alkyls as well as radical polymerization in solutions. Chemists and professionals dealing with radiation, physical, and industrial chemistry will find the book invaluable.
Download or read book Mathematical Models of Chemical Reactions written by Péter Érdi and published by Manchester University Press. This book was released on 1989 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 The Nonequilibrium Time Dependent Theory of Hot Atom Reactions Appliation to the Reactions of Hot 18F with the Isotopes of Hydrogen written by David Bookin and published by . This book was released on 1983 with total page 772 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1976 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book ERDA Research Abstracts written by United States. Energy Research and Development Administration and published by . This book was released on 1976 with total page 716 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book ERDA Energy Research Abstracts written by United States. Energy Research and Development Administration and published by . This book was released on 1976-05 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1981 with total page 798 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Reactions of Fluorine Atoms with H2 and D2 written by Edward Robert Grant and published by . This book was released on 1974 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computer Simulation of Hot Atom Chemistry written by Robert James Tunbridge and published by . This book was released on 1974 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
