Molecular Dynamics Studies of Chemical Reactions at Solid-liquid Interfaces PDF Download

Author: Daniel Anthony Rose
Publisher:
ISBN:
Category : Chemical reaction, Conditions and laws of
Languages : en
Pages : 320

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Author: Yasuhiro Fukunaka
Publisher: The Electrochemical Society
ISBN: 1566777313
Category : Science
Languages : en
Pages : 127

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Book Description
The papers included in this issue of ECS Transactions were originally presented in the symposium ¿Molecular Structure of the Solid-Liquid Interface and Its Relationship to Electrodeposition 6¿, held during the PRiME 2008 joint international meeting of The Electrochemical Society and The Electrochemical Society of Japan, with the technical cosponsorship of the Japan Society of Applied Physics, the Korean Electrochemical Society, the Electrochemistry Division of the Royal Australian Chemical Institute, and the Chinese Society of Electrochemistry. This meeting was held in Honolulu, Hawaii, from October 12 to 17, 2008.

Author: Perla Balbuena
Publisher: Elsevier
ISBN: 0080536840
Category : Science
Languages : en
Pages : 971

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Book Description
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 solidsAlthough 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.

Author: Joshua Jortner
Publisher: Springer Science & Business Media
ISBN: 9401107866
Category : Science
Languages : en
Pages : 562

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Book Description
The Twenty Sixth Jerusalem Symposium reflected the high standards of these distinguished scientific meetings, which convene once a year at the Israel Academy of Sciences and Humanities in Jerusalem to discuss a specific topic in the broad area of quantum chemistry and biochemistry. The topic at this year's Jerusalem Symposium was reaction dynamics in clusters and condensed phases, which constitutes a truly interdisciplinary subject of central interest in the areas of chemical dynamics, kinetics, photochemistry and condensed matter chemical physics. The main theme of the Symposium was built around the exploration of the interrelationship between the dynamics in large finite clusters and in infinite bulk systems. The main issues addressed microscopic and macroscopic sol vation phenomena, cluster and bulk spectroscopy, photodissociation and vibrational predissociation, cage effects, interphase dynamics, reaction dynamics and energy transfer in clusters, dense fluids, liquids, solids and biophysical systems. The interdisciplinary nature of this research area was deliberated by intensive and extensive interactions between modern theory and advanced experimental methods. This volume provides a record of the invited lectures at the Symposium.

Author: Y. Iwasawa
Publisher: Elsevier
ISBN: 0080529356
Category : Science
Languages : en
Pages : 1129

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The purpose of this Conference was to discuss the results of recent developments and the future prospect in science and technology of the field. The field has been growing and flourishing, while indicating many problems to be uncovered and solved. The conference was structured to encourage interaction and to stimulate the exchange of ideas to accomplish the above purpose.Key issues and materials related to the Conference were included as follows: • Molecular Assemblies in Solutions; • Fine Particles and Colloidal Dispersions; • Supramolecular Organized Films; • Nanostructural Solid Surfaces; • Industrial Applications and Products.The Conference comprised 2 plenary lectures, 42 invited lectures, 150 oral presentations and 266 poster presentations.

Author:
Publisher:
ISBN:
Category : Aeronautics
Languages : en
Pages : 704

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Author: Anders Nilsson
Publisher: Elsevier
ISBN: 0080551912
Category : Science
Languages : en
Pages : 533

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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

Author: Gabor A. Somorjai
Publisher: Wiley-Interscience
ISBN:
Category : Science
Languages : en
Pages : 714

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Among the topics covered are adhesion and tribological properties, friction, crack formation, and lubrication.

Author:
Publisher: Elsevier
ISBN: 0128098945
Category : Science
Languages : en
Pages : 5276

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Book Description
Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, Seven Volume Set summarizes current, fundamental knowledge of interfacial chemistry, bringing readers the latest developments in the field. As the chemical and physical properties and processes at solid and liquid interfaces are the scientific basis of so many technologies which enhance our lives and create new opportunities, its important to highlight how these technologies enable the design and optimization of functional materials for heterogeneous and electro-catalysts in food production, pollution control, energy conversion and storage, medical applications requiring biocompatibility, drug delivery, and more. This book provides an interdisciplinary view that lies at the intersection of these fields. Presents fundamental knowledge of interfacial chemistry, surface science and electrochemistry and provides cutting-edge research from academics and practitioners across various fields and global regions

Author: Philippe Déjardin
Publisher: Springer Science & Business Media
ISBN: 3540326588
Category : Science
Languages : en
Pages : 341

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This book opens with a description of fundamental aspects of protein adsorption to surfaces, a phenomenon that plays a key role in biotechnological applications, especially at solid-liquid interfaces. Presented here are methods for studying adsorption kinetics and conformational changes such as optical waveguide lightmode spectroscopy (OWLS). Also described are sensitive bench techniques for measuring the orientation and structure of proteins at solid-liquid interfaces, including total internal reflection ellipsometry (TIRE), dual polarisation interferometry (DPI) and time of flight - secondary ion mass spectrometry (TOF–SIMS). A model study of fibronectin at polymer surfaces is included, as are studies using microporous membranes and textiles with immobilized enzymes for large-scale applications. Biocompatibility, anti-fouling properties and surface modification to modulate the adsorption and activity of biomolecules are among the other topics addressed in this invaluable book.