Molecular Dynamics Studies of Chemical Reactions at Solid-liquid Interfaces PDF Download
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Author: Daniel Anthony Rose
Publisher:
ISBN:
Category : Chemical reaction, Conditions and laws of
Languages : en
Pages : 320
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Book Description
Author: Daniel Anthony Rose
Publisher:
ISBN:
Category : Chemical reaction, Conditions and laws of
Languages : en
Pages : 320
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Book Description
Author: Nicolas D. Winter
Publisher:
ISBN:
Category :
Languages : en
Pages : 442
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Book Description
Author: Jennifer A. Faust
Publisher: Elsevier
ISBN: 0128136421
Category : Science
Languages : en
Pages : 492
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Book Description
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
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: Abraham Nitzan
Publisher: Oxford University Press
ISBN: 0192671448
Category : Science
Languages : en
Pages : 752
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Book Description
This second edition of Chemical Dynamics in Condensed Phases provides a substantial modification and expansion of the first edition published in 2006. Nitzan offers a uniform approach to diverse problems encountered in the study of dynamical processes in condensed phase molecular systems. The textbook focuses on three themes: contextual background material, in-depth introduction of methodologies, and analysis of several key applications. These applications are among the most fundamental processes that underlie physical, chemical, and biological phenomena in complex systems. The comprehensive, advanced, and self-contained text provides the theoretical foundations for the processes affecting molecular dynamics in condensed phases that are encountered in the chemistry laboratory as well as in biology and material science research. The mathematical tools and the physical concepts necessary to develop the chemical description are provided first, followed by a detailed discussion of the fundamental chemical processes that underlie the chemical dynamics, including quantum and classical aspects of molecular motion and the interaction of molecules with the radiation field and the surrounding thermal environment. The last part of the book discusses several key processes: accumulation and relaxation of molecular energy, chemical reaction dynamics and the interplay of these dynamics with the dynamics and relaxation of the surrounding solvent, electron transfer reactions, electrode processes and molecular conduction junctions as well as molecular response to optical stimuli in solution and at dielectric interfaces. Attention is given to combining the mathematical analysis with qualitative physical understanding of the different dynamical phenomena. New to this edition is a new chapter 19 on the interaction of molecules with light at dielectric interfaces, motivated by the surge of interest in molecular plasmonics and molecular cavity electrodynamics, as well as a section relevant to this issue added to Chapter 10. Chapters on light-matter interaction and spectroscopy have been expanded to include subjects relevant to the foundation and practice of interfacial spectroscopy. Sections have also been added to include discussion of noise and fluctuations observed in single molecule spectroscopy and in molecular junction transport.
Author: James Woods Halley
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 260
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Book Description
Solid-Liquid Interface Theory examines electronic properties of the metal-solvent interface, the modelling of reaction rates, oxides at liquid solid interfaces and organic liquid-solid interfaces.
Author: Shuyu Chen
Publisher:
ISBN:
Category : Solid-liquid interfaces
Languages : en
Pages : 100
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Book Description
Author: Gregory Jerkiewicz
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 378
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Book Description
The wide scope covered by the 23 papers makes the collection suitable as a survey of current developments in the subject, for specialists in electrochemical surface science, newcomers to the field, or scientists working in related disciplines. The topics include computer simulation of the structure and dynamics of water near metal surfaces, the growth kinetics of phosphate films on metal oxide surfaces, anion adsorption and charge transfer on single-crystal electrodes, an electrochemical and in-situ scanning-probe microscopic study of electroactive polymers, and the temperature dependence of the growth of surface oxide films on rhodium electrodes. Annotation copyrighted by Book News, Inc., Portland, OR.
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Author: H. Ohtaki
Publisher: Elsevier
ISBN: 1483291421
Category : Science
Languages : en
Pages : 361
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Book Description
Recent advances in the study of structural and dynamic properties of solutions have provided a molecular picture of solute-solvent interactions. Although the study of thermodynamic as well as electronic properties of solutions have played a role in the development of research on the rate and mechanism of chemical reactions, such macroscopic and microscopic properties are insufficient for a deeper understanding of fast chemical and biological reactions. In order to fill the gap between the two extremes, it is necessary to know how molecules are arranged in solution and how they change their positions in both the short and long range. This book has been designed to meet these criteria. It is possible to develop a sound microscopic picture for reaction dynamics in solution without molecular-level knowledge of how reacting ionic or neutral species are solvated and how rapidly the molecular environment is changing with time. A variety of actual examples is given as to how and when modern molecular approaches can be used to solve specific solution problems. The following tools are discussed: x-ray and neutron diffraction, EXAFS, and XANES, molecular dynamics and Monte Carlo computer simulations, Raman, infrared, NMR, fluorescence, and photoelectron emission spectroscopic methods, conductance and viscosity measurements, high pressure techniques, and statistical mechanics methods. Static and dynamic properties of ionic solvation, molecular solvation, ion-pair formation, ligand exchange reactions, and typical organic solvents are useful for bridging the gap between classical thermodynamic studies and modern single-molecule studies in the gas phase. The book will be of interest to solution, physical, inorganic, analytical and structural chemists as well as to chemical kineticists.
