Download or read book Potential Energy Surfaces and Dynamics Calculations written by Donald Truhlar and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 859 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present volume is concerned with two of the central questions of chemical dynamics. What do we know about the energies of interaction of atoms and molecules with each other and with solid surfaces? How can such interaction energies be used to understand and make quantitative predictions about dynamical processes like scattering, energy transfer, and chemical reactions? It is becoming clearly recognized that the computer is leading to rapid progress in answering these questions. The computer allows probing dynamical mechanisms in fine detail and often allows us to answer questions that cannot be addressed with current experimental techniques. As we enter the 1980's, not only are more powerful and faster computers being used, but techniques and methods have been honed to a state where exciting and reliable data are being generated on a variety of systems at an unprecedented pace. The present volume presents a collection of work that illustrates the capabilities and some of the successes of this kind of computer-assisted research. In a 1978 Chemical Society Report, Frey and Walsh pointed out that "it is extremely doubtful if a calculated energy of activation for any unimolecular decomposition can replace an experimental deter mination. " However they also recorded that they "believe[d] that some of the elaborate calculations being performed at present do suggest that we may be approaching a time when a choice between reaction mechanisms will be helped by such [computational] work.
Download or read book Electronic Structure and Reactivity of Metal Surfaces written by E. Derouane and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: Imagine that a young physicist would approach a granting agen cy and propose to contribute to heterogeneous catalysis by studying the heat conductivity of gases in contact with a hot filament. How would he be received now? How would he have been treated sixty years ago ? Yet, more than sixty years ago, Irving Langmuir, through his study of heat transfer from a tungsten filament, uncovered most of the fundamental ideas which are used to-day by the scientific com munity in pure and applied heterogeneous catalysis. Through his work with what were for the first time "clean" metal surfaces, Langmuir formulated during a period of a little over ten years un til the early thirties, the concepts of chemisorption, monolayer, adsorption sites, adsorption isotherm, sticking probability, cata lytic mechanisms by way of the interaction between chemisorbed spe cies, behavior of non-uniform surfaces and repulsion between adsor bed dipoles. It is fair to say that many of these ideas constituting the first revolution in surface chemistry have since been refined through thousands of investigations. Countless papers have been pu blished on the subject of the Langmuir adsorption isotherm, the Langmuir catalytic kinetics and the Langmuir site-exclusion adsorp tion kinetics. The refinements have been significant. ThE original concepts in their primitive or amended form are used everyday by catalytic chemists and chemical engineers allover the world in their treatment of experimental data, design of reactors or inven tion of new processes.
Download or read book Dissertation Abstracts International written by and published by . This book was released on 1994 with total page 912 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Hydrogen in Metals Application oriented properties written by G. Alefeld and published by . This book was released on 1978 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Selected Papers of J Robert Schrieffer written by John Robert Schrieffer and published by World Scientific. This book was released on 2002 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presents papers by theoretical physicist J. Robert Schrieffer on topics in superconductivity and condensed matter physics.
Download or read book Progress in Surface and Membrane Science written by D. A. Cadenhead and published by Elsevier. This book was released on 2013-10-22 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress in Surface and Membrane Science, Volume 9 covers the developments in surface and membrane science. The book discusses the physical adsorption of gases and vapors in micropores; the chemisorption theory; and the role of radioisotopes in the studies of chemisorption and catalysis. The text also describes the interaction of ions with monolayers; and the isolation and characterization of mycoplasma membranes. Chemists, physical chemists, and microbiologists will find the book useful.
Download or read book Physics Briefs written by and published by . This book was released on 1989 with total page 1046 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Chemisorptive Bond written by Alfred Clark and published by Elsevier. This book was released on 2012-12-02 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Chemisorptive Bond: Basic Concepts describes the basic concepts of the chemisorptive bond on solid surfaces from the simple analogies with ordinary chemical bonds to the quantum-mechanical approaches. This book is composed of 10 chapters and begins with discussions of simple formulas for correlating measurable quantities in chemisorptions and catalysis. The succeeding chapters deal with theories based on quantum-mechanical principles that describe the mutual interactions of atoms of the solid and foreign atoms on the surface. The remaining chapters consider the possible arrangements of ligands about a central metal atom, including octahedral, tetrahedral, cubic, and square planar, and how these arrangements affect chemisorption. This book will be of great value to chemical engineers and researchers.
Download or read book Chemistry and Physics of Solid Surfaces written by Chemical Rubber Company and published by . This book was released on 1977 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Bonding at Surfaces and Interfaces written by Anders Nilsson and published by Elsevier. This book was released on 2011-08-11 with total page 533 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular surface science has made enormous progress in the past 30 years. The development can be characterized by a revolution in fundamental knowledge obtained from simple model systems and by an explosion in the number of experimental techniques. The last 10 years has seen an equally rapid development of quantum mechanical modeling of surface processes using Density Functional Theory (DFT). Chemical Bonding at Surfaces and Interfaces focuses on phenomena and concepts rather than on experimental or theoretical techniques. The aim is to provide the common basis for describing the interaction of atoms and molecules with surfaces and this to be used very broadly in science and technology. The book begins with an overview of structural information on surface adsorbates and discusses the structure of a number of important chemisorption systems. Chapter 2 describes in detail the chemical bond between atoms or molecules and a metal surface in the observed surface structures. A detailed description of experimental information on the dynamics of bond-formation and bond-breaking at surfaces make up Chapter 3. Followed by an in-depth analysis of aspects of heterogeneous catalysis based on the d-band model. In Chapter 5 adsorption and chemistry on the enormously important Si and Ge semiconductor surfaces are covered. In the remaining two Chapters the book moves on from solid-gas interfaces and looks at solid-liquid interface processes. In the final chapter an overview is given of the environmentally important chemical processes occurring on mineral and oxide surfaces in contact with water and electrolytes. - Gives examples of how modern theoretical DFT techniques can be used to design heterogeneous catalysts - This book suits the rapid introduction of methods and concepts from surface science into a broad range of scientific disciplines where the interaction between a solid and the surrounding gas or liquid phase is an essential component - Shows how insight into chemical bonding at surfaces can be applied to a range of scientific problems in heterogeneous catalysis, electrochemistry, environmental science and semiconductor processing - Provides both the fundamental perspective and an overview of chemical bonding in terms of structure, electronic structure and dynamics of bond rearrangements at surfaces
Download or read book Metals Abstracts Index written by and published by . This book was released on 1983 with total page 894 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book A holistic model predictive process control for plastic metal direct joining written by Stefan P. Meyer and published by utzverlag GmbH. This book was released on with total page 170 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book American Doctoral Dissertations written by and published by . This book was released on 1985 with total page 696 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Adhesives Technology Handbook written by Sina Ebnesajjad and published by William Andrew. This book was released on 2014-11-26 with total page 437 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covering a wide range of industrial applications across sectors including medical applications, automotive/aerospace, packaging, electronics, and consumer goods, this book provides a complete guide to the selection of adhesives, methods of use, industrial applications, and the fundamentals of adhesion. Dr Ebnesajjad examines the selection of adhesives and adhesion methods and challenges for all major groups of substrate including plastics (thermosets and thermoplastics), elastomers, metals, ceramics and composite materials. His practical guidance covers joint design and durability, application methods, test methods and troubleshooting techniques. The science and technology of adhesion, and the principles of adhesive bonding are explained in a way that enhances the reader's understanding of the fundamentals that underpin the successful use and design of adhesives. The third edition has been updated throughout to include recent developments in the industry, with new sections covering technological advances such as nanotechnology, micro adhesion systems, and the replacement of toxic chromate technology. Provides practitioners of adhesion technology with a complete guide to bonding materials successfully Covers the whole range of commonly used substrates including plastics, metals, elastomers and ceramics, explaining basic principles and describing common materials and application techniques Introduces the range of commercially available adhesives and the selection process alongside the science and technology of adhesion
Download or read book Catalysis by Metals and Alloys written by V. Ponec and published by Elsevier. This book was released on 1995-08-29 with total page 745 pages. Available in PDF, EPUB and Kindle. Book excerpt: Catalysis by Metals and Alloys
Download or read book Treatise on Solid State Chemistry written by N. Hannay and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 501 pages. Available in PDF, EPUB and Kindle. Book excerpt: The last quarter-century has been marked by the extremely rapid growth of the solid-state sciences. They include what is now the largest subfield of physics, and the materials engineering sciences have likewise flourished. And, playing an active role throughout this vast area of science and engineer ing have been very large numbers of chemists. Yet, even though the role of chemistry in the solid-state sciences has been a vital one and the solid-state sciences have, in turn, made enormous contributions to chemical thought, solid-state chemistry has not been recognized by the general body of chemists as a major subfield of chemistry. Solid-state chemistry is not even well defined as to content. Some, for example, would have it include only the quantum chemistry of solids and would reject thermodynamics and phase equilibria; this is nonsense. Solid-state chemistry has many facets, and one of the purposes of this Treatise is to help define the field. Perhaps the most general characteristic of solid-state chemistry, and one which helps differentiate it from solid-state physics, is its focus on the chemical composition and atomic configuration of real solids and on the relationship of composition and structure to the chemical and physical properties of the solid. Real solids are usually extremely complex and exhibit almost infinite variety in their compositional and structural features.
Download or read book Metals Abstracts written by and published by . This book was released on 1995 with total page 662 pages. Available in PDF, EPUB and Kindle. Book excerpt:
