Download or read book Molecular Reaction Dynamics in Gases Liquids and Interfaces written by and published by Faraday Discussions. This book was released on 2012 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of gas-phase molecular reaction dynamics has long proved to be a central and fruitful field of research, with impact in many areas of science, for both experimental and theoretical physical chemists/chemical physicists. This discussion is particularly timely because of the exciting developments of the last decade.
Download or read book Physical Chemistry of Gas Liquid Interfaces written by Jennifer A. Faust and published by Elsevier. This book was released on 2018-05-31 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physical Chemistry of Gas-Liquid Interfaces, the first volume in the Developments in Physical & Theoretical Chemistry series, addresses the physical chemistry of gas transport and reactions across liquid surfaces. Gas–liquid interfaces are all around us, especially within atmospheric systems such as sea spry aerosols, cloud droplets, and the surface of the ocean. Because the reaction environment at liquid surfaces is completely unlike bulk gas or bulk liquid, chemists must readjust their conceptual framework when entering this field. This book provides the necessary background in thermodynamics and computational and experimental techniques for scientists to obtain a thorough understanding of the physical chemistry of liquid surfaces in complex, real-world environments. 2019 PROSE Awards - Winner: Category: Chemistry and Physics: Association of American Publishers Provides an interdisciplinary view of the chemical dynamics of liquid surfaces, making the content of specific use to physical chemists and atmospheric scientists Features 100 figures and illustrations to underscore key concepts and aid in retention for young scientists in industry and graduate students in the classroom Helps scientists who are transitioning to this field by offering the appropriate thermodynamic background and surveying the current state of research
Download or read book Molecular Dynamics Simulations of Chemical Reactions at Liquid vapor and Liquid liquid Interfaces written by Nicolas D. Winter and published by . This book was released on 2006 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics Studies of Chemical Reactions at Solid liquid Interfaces written by Daniel Anthony Rose and published by . This book was released on 1994 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Reaction Dynamics written by Raphael D. Levine and published by Cambridge University Press. This book was released on 2009-06-04 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular reaction dynamics is the study of chemical and physical transformations of matter at the molecular level. The understanding of how chemical reactions occur and how to control them is fundamental to chemists and interdisciplinary areas such as materials and nanoscience, rational drug design, environmental and astrochemistry. This book provides a thorough foundation to this area. The first half is introductory, detailing experimental techniques for initiating and probing reaction dynamics and the essential insights that have been gained. The second part explores key areas including photoselective chemistry, stereochemistry, chemical reactions in real time and chemical reaction dynamics in solutions and interfaces. Typical of the new challenges are molecular machines, enzyme action and molecular control. With problem sets included, this book is suitable for advanced undergraduate and graduate students, as well as being supplementary to chemical kinetics, physical chemistry, biophysics and materials science courses, and as a primer for practising scientists.
Download or read book Molecular Reaction Dynamics written by Raphael D. Levine and published by Cambridge University Press. This book was released on 2009-06-04 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: Describing chemical and physical transformations of matter at the molecular level, this book comprehensively considers fundamental theory and experimental techniques. It also covers such new topics as real-time analysis and reactions in solutions and interfaces. The addition of problem sets makes the book suitable to those studying chemical reaction dynamics, as well as a supplementary text to physical chemistry and natural science courses.
Download or read book Tutorials in Molecular Reaction Dynamics written by Mark Brouard and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 507 pages. Available in PDF, EPUB and Kindle. Book excerpt: The focus of this excellent textbook is the topic of molecular reaction dynamics. The chapters are all written by internationally recognised researchers and, from the outset, the contributors are writing with the young scientist in mind. The easy to use, stand-alone, chapters make it of value to students, teachers, and researchers alike. Subjects covered range from the more traditional topics, such as potential energy surfaces, to more advanced and rapidly developing areas, such as femtochemistry and coherent control. The coverage of reaction dynamics is very broad, so many students studying chemical physics will find elements of this text interesting and useful. Tutorials in Molecular Reaction Dynamics includes extensive references to more advanced texts and research papers, and a series of 'Study Boxes' help readers grapple with the more difficult concepts. Each chapter is thoroughly cross-referenced, helping the reader to link concepts from different branches of the subject. Worked problems are included, and each chapter concludes with a selection of problems designed to test understanding of the subjects covered. Supplementary reading material, and worked solutions to the problems, are contained on a secure website.
Download or read book Dynamics of the Gas Liquid Interfacial Reaction of O 3P Atoms with Squalane written by and published by Cuvillier Verlag. This book was released on 2006-06-14 with total page 152 pages. Available in PDF, EPUB and Kindle. Book excerpt: The dynamics of the gas-liquid interfacial reaction of O(3P) atoms with squalane, C30H62, have been investigated. O(3P) atoms were created by laser-photolysis of NO2 at 355nm above the liquid surface, and the main gas-phase products hydroxyl radicals detected under collision-free conditions using laser-induced fluorescence.Thus it was possible to measure spectroscopically for the first time the internal energy distribution of gas-phase products after reactive scattering on a gas-liquid interface. Vibrationally excited hydroxyl radicals were detected. This may imply that some O(3P) atoms abstract hydrogen from secondary and/or tertiary carbon atoms as it is known from related gas-phase experiments that primary hydrogen atoms do not produce measurable amounts of OH(v = 1). The rotational distribution in OH(v = 1) is colder than in OH(v = 0), indicative of a direct abstraction mechanism similar to the one observed in the gas-phase. However, it was also observed that the rotational temperature correlates in some cases with the temperature of the liquid itself. The translational energy distribution of the OH radicals was measured by recording time-of-flight profiles. These were modelled by Monte-Carlo simulations which only reproduced the profiles well if two distinct translational energy components were considered. The combined results of the rotational and translational energy distributions indicate a twofold reaction mechanism. A direct and a thermal mechanism seem to contribute to the overall yield. Rotational distributions recorded at short time delays to discriminate against the thermal mechanism did not show a strong dependence on the surface temperature. Molecular dynamics simulations of the squalane–vacuum interface were performed using a slab of around 300 squalane molecules. The results show that the methyl groups are more likely to protrude into the vacuum than the methylene and methine groups. Additional simulations were performed which tracked the flight path of oxygen atoms towards some model liquid surfaces. These simulations revealed that secondary and tertiary hydrogen atoms are accessible to the incoming O(3P) atoms, rationalising the detection of OH/OD(v = 1).
Download or read book Computational Study of Chemical Reaction Dynamics at the Gas Solid Interface written by George Wolken (Jr) and published by . This book was released on 1977 with total page 75 pages. Available in PDF, EPUB and Kindle. Book excerpt: Using computer simulations an investigation was carried out describing the conditions under which a heterogeneously catalyzed reaction will enhance the deposit of energy into laser-active modes. The model describes the internal vibration-rotation states of diatomic molecules as they are formed and adsorbed from the surface. In addition an attempt is made to understand the particular features in the potential which lead to particular internal states. (Author).
Download or read book Reviews in Computational Chemistry written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2015-04-27 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 28 include: Free-energy Calculations with Metadynamics Polarizable Force Fields for Biomolecular Modeling Modeling Protein Folding Pathways Assessing Structural Predictions of Protein-Protein Recognition Kinetic Monte Carlo Simulation of Electrochemical Systems Reactivity and Dynamics at Liquid Interfaces
Download or read book Reactive Bubbly Flows written by Michael Schlüter and published by Springer Nature. This book was released on 2021-07-29 with total page 642 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents experimental and numerical methods that have been developed during six years of targeted research within the DFG priority program SPP 1740, elucidating the interaction between hydrodynamics, mass transfer and transport as well as chemical reactions in bubbly flows. A special feature of this book is its focus on an interdisciplinary research approach with contributions from chemistry, mathematics and engineering sciences, providing enhanced or novel experimental methods, models and numerical simulations. This book provides fundamental knowledge to students about the current state of knowledge regarding transport processes in reactive bubbly flows as well as to scientists, emphasizing pressing research questions and further current demands for fundamental research. Engineers from the chemical industries will get valuable insights into relevant gas-liquid processes and benefit from recommendations concerning the design of gas-liquid reactors and laboratory experiments for studying the performance of gas-liquid reactions in their own lab.
Download or read book Molecular Dynamics written by Perla Balbuena and published by Elsevier. This book was released on 1999-04-22 with total page 971 pages. Available in PDF, EPUB and Kindle. Book excerpt: The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD). Features of this book: • Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD • Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers • Provides chemical reactions, interfaces, catalysis, surface phenomena and solids Although the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
Download or read book Chemical Kinetics and Reaction Dynamics written by Paul L. Houston and published by Courier Corporation. This book was released on 2012-10-10 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
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 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 The Molecular Theory of Gases and Liquids written by Joseph O. Hirschfelder and published by Wiley-Interscience. This book was released on 1954 with total page 1286 pages. Available in PDF, EPUB and Kindle. Book excerpt: An essential cross-disciplinary reference for molecular interactions Molecular Theory of Gases and Liquids offers a rigorous, comprehensive treatment of molecular characteristics and behaviors in the gaseous and fluid states. A unique cross-disciplinary approach provides useful insight for students of chemistry, chemical engineering, fluid dynamics, and a variety of related fields, with thorough derivations and in-depth explanations throughout. Appropriate for graduate students and working scientists alike, this book details advanced concepts without sacrificing depth of coverage or technical detail.
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt:
