Download or read book Reaction Dynamics of O 3P Atoms with Saturated Hydrocarbons written by Florian Ausfelder and published by Cuvillier Verlag. This book was released on 2002 with total page 251 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dynamics of O 3P Reactions with Gaseous Liquid and Solid Hydrocarbons written by and published by . This book was released on 2006 with total page 41 pages. Available in PDF, EPUB and Kindle. Book excerpt: Prof. Hase has studied the reaction dynamics of oxygen atoms (triplet P state) with alkane hydrocarbons. In the initial phase, highly accurate ab initio quantum chemistry calculations (CASSCF, CASPT2, MRCI, with cc-pVTZ and cc-pVQZ basis sets) were applied to model reactions, including 0 + ethane and related reactions. In the second phase, a semiempirical quantum chemistry method, PM3-SRP, was developed by modifying and reparametrizing the standard PM3 method to fit the ab initio data. In the application phase, PM3-SRP was used in quasiclassical trajectory calculations to compute the dynamics of O + ethane at 5 eV collision energy, and propane monomer and tetramer at less than 2 eV collision energy. The trajectory results are in good agreement with experiment where comparison is possible. The O + ethane calculations at 5 eV predict the formation of a large number of products, many of which result from unimolecular decomposition of initially formed products. In the low energy 0 + propane calculations, the predicted distribution of vibrational and rotation energy in the OH product is in excellent agreement with experiment. In addition, energy transfer and physisorption of 0 atoms on self-assembled alkane monolayers were studied by computing inelastic scattering 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 Modern Trends in Chemical Reaction Dynamics written by Xueming Yang and published by World Scientific. This book was released on 2004 with total page 653 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of chemical reaction dynamics has made huge progress during the last decade or so. The aim of these volumes is to provide graduate students and experts in the field with a picture of the current status of advanced experimental and theoretical research in chemical reaction dynamics.
Download or read book Modern Trends In Chemical Reaction Dynamics Part I Experiment And Theory written by Kopin Liu and published by World Scientific. This book was released on 2004-03-09 with total page 653 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of chemical reaction dynamics has made tremendous progress during the last decade or so. This is due largely to the development of many new, state-of-the-art experimental and theoretical techniques during that period. It is beneficial to present these advances, both theoretical and experimental, in a review volume published in two parts (Parts I and II). The primary purpose of this review volume is to provide graduate students and experts in the field with a rather detailed picture of the current status of advanced experimental and theoretical research in chemical reaction dynamics. All chapters in these two parts have been written by world-renowned experts active in such research.
Download or read book Chemical Applications of Synchrotron Radiation written by Tsun-Kong Sham and published by World Scientific. This book was released on 2002 with total page 1302 pages. Available in PDF, EPUB and Kindle. Book excerpt: The synchrotron light source is becoming widely available, after its evolution from its infancy in the sixties to the present third generation source with insertion devices. It is timely to examine the impact that synchrotron light has made and will continue to make on chemical research. With this objective in mind, the editor of this invaluable book invited contributions from practitioners who are in the forefront of the research. The book summarizes most of the significant developments in the last decade in chemical and related research using synchrotron light. The utilization of the light as a probe as well as an energy source is emphasized.This book is organized into two parts, in order of increasing photon energy. Part I deals with the applications of low energy photons and covers areas such as gas phase photodissociation reactions and dynamics, soft X-ray fluorescence, IR and photoemission analysis of surfaces, spectroscopy of organic and polymeric materials, catalysts, electronic and magnetic materials, and spectromicroscopy. Part II encompasses applications using soft to hard X-rays, including spectroscopy of surface and thin films, XAFS, diffraction and scattering, and several technological applications, namely the microprobe, photoetching and tribology.
Download or read book Atomic Oxygen Interactions with Saturated Hydrocarbon Surfaces written by Donna J. Garton and published by . This book was released on 1997 with total page 12 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 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 Protection of Materials and Structures from the Space Environment written by Jacob I. Kleiman and published by Springer Science & Business Media. This book was released on 2006-07-13 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: The effects of various space environment factors like atomic oxygen, vacuum ultraviolet radiation, charging, micrometeoroids, meteoroid showers, etc. on materials and structures in various orbits are discussed. In addition the ways to prevent these effects or reduce them through protection by coatings or modification of affected surfaces are considered in the book. The discussions on development of predictive models of material erosion that will allow the materials engineers and designers of future spacecraft to evaluate materials' behaviour is continued from the past meetings.
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 Protection of Materials and Structures from Space Environment written by J. Kleiman and published by Springer Science & Business Media. This book was released on 2006-03-09 with total page 553 pages. Available in PDF, EPUB and Kindle. Book excerpt: This publication presents the proceedings of ICPMSE-6, the sixth international conference on Protection of Materials and Structures from Space Environment, held in Toronto May 1-3, 2002. The ICPMSE series of meetings became an important part of the LEO space community since it was started in 1991. Since then, the meeting has grown steadily, attracting a large number of engineers, researchers, managers, and scientists from industrial companies, scientific institutions and government agencies in Canada, U. S. A. , Asia, and Europe, thus becoming a true international event. This year’s meeting is gaining even stronger importance with the resumption of the ISS and other space projects in LEO, GEO and Deep Space. To reflect on these activities, the topics in the program have been extended to include protection of materials in GEO and Deep Space. The combination of a broad selection of technical and scientific topics addressed by internationally known speakers with the charm of Toronto and the hospitality of the organizers brings participants back year after year. The conference was hosted and organized by Integrity Testing Laboratory Inc. (ITL), and held at the University of Toronto’s Institute for Aerospace Studies (UTIAS). The meeting was sponsored by the Materials and Manufacturing Ontario (MMO) and the CRESTech, two Ontario Centres of Excellence; Air Force Office of Scientific Research (AFOSR/NL); MD Robotics; EMS Technologies; The Integrity Testing Laboratory (ITL); and the UTIAS.
Download or read book Chemical Dynamics in Extreme Environments written by Rainer A. Dressler and published by World Scientific. This book was released on 2001 with total page 631 pages. Available in PDF, EPUB and Kindle. Book excerpt: As computing power increases, a growing number of macroscopic phenomena are modeled at the molecular level. Consequently, new requirements are generated for the understanding of molecular dynamics in exotic conditions. This book illustrates the importance of detailed chemical dynamics and the role it plays in the phenomenology of a number of extreme environments. Each chapter addresses one or more extreme environments, outlines the associated chemical mechanisms of relevance, and then covers the leading edge science that elucidates the chemical coupling. The chapters exhibit a balance between theory and experiment, gas phase, solid state, and surface dynamics, and geophysical and technical environments.
Download or read book Information and Communications written by National Research Council and published by National Academies Press. This book was released on 2003-11-28 with total page 208 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since publication of the National Research Council (NRC) reports on chemistry in 1985 and chemical engineering in 1988,1,2 dramatic advances in information technology (IT) have totally changed these communities. During this period, the chemical enterprise and information technology have enjoyed both a remarkably productive and mutually supportive set of advances. These synergies sparked unprecedented growth in the capability and productivity of both fields including the definition of entirely new areas of the chemical enterprise. The chemical enterprise provided information technology with device fabrication processes, new materials, data, models, methods, and (most importantly) people. In turn, information technology provided chemical science and technology with truly remarkable and revolutionary resources for computations, communications, and data management. Indeed, computation has become the strong third component of the chemical science research and development effort, joining experiment and theory. Sustained mutual growth and interdependence of the chemical and information communities should take account of several unique aspects of the chemical sciences. These include extensive and complex databases that characterize the chemical disciplines; the importance of multiscale simulations that range from molecules to technological processes; the global economic impact of the chemical industry; and the industry's major influence on the nation's health, environment, security, and economic well-being. In planning the future of the chemical sciences and technology, it is crucial to recognize the benefits already derived from advances in information technology as well as to point the way to future benefits that will be derived.
Download or read book Dynamics of Oxygen Atom Reactions written by Chan Ryang Park and published by . This book was released on 1990 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The State to state Dynamics of the Reactions of Oxygen Atoms with Hydrocarbons written by Gillian Michelle Sweeney and published by . This book was released on 1997 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The State to state Dynamics of the Reactions of Oxygen Atoms with Hydrocarbons written by Gillian Michelle Sweeney and published by . This book was released on 1997 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
