Molecular Modeling of Geochemical Reactions

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Publisher : John Wiley & Sons
ISBN 13 : 1118845161
Total Pages : 440 pages
Book Rating : 4.1/5 (188 download)

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Book Synopsis Molecular Modeling of Geochemical Reactions by : James D. Kubicki

Download or read book Molecular Modeling of Geochemical Reactions written by James D. Kubicki and published by John Wiley & Sons. This book was released on 2016-07-22 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular processes in nature affect human health, the availability of resources and the Earth’s climate. Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible. Molecular Modeling of Geochemical Reactions: An Introduction applies computational chemistry to geochemical problems. Chapters focus on geochemical applications in aqueous, petroleum, organic, environmental, bio- and isotope geochemistry, covering the fundamental theory, practical guidance on applying techniques, and extensive literature reviews in numerous geochemical sub-disciplines. Topics covered include: • Theory and Methods of Computational Chemistry • Force Field Application and Development • Computational Spectroscopy • Thermodynamics • Structure Determination • Geochemical Kinetics This book will be of interest to graduate students and researchers looking to understand geochemical processes on a molecular level. Novice practitioners of molecular modelling, experienced computational chemists, and experimentalists seeking to understand this field will all find information and knowledge of use in their research.

Nuclear Magnetic Resonance Studies of Interfacial Phenomena

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Publisher : CRC Press
ISBN 13 : 1466551682
Total Pages : 1043 pages
Book Rating : 4.4/5 (665 download)

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Book Synopsis Nuclear Magnetic Resonance Studies of Interfacial Phenomena by : Vladimir M. Gun'ko

Download or read book Nuclear Magnetic Resonance Studies of Interfacial Phenomena written by Vladimir M. Gun'ko and published by CRC Press. This book was released on 2013-04-08 with total page 1043 pages. Available in PDF, EPUB and Kindle. Book excerpt: Properties and applications of high surface area materials depend on interfacial phenomena, including diffusion, sorption, dissolution, solvation, surface reactions, catalysis, and phase transitions. Among the physicochemical methods that give useful information regarding these complex phenomena, nuclear magnetic resonance (NMR) spectroscopy is the most universal, yielding detailed structural data regarding molecules, solids, and interfaces. Nuclear Magnetic Resonance Studies of Interfacial Phenomena summarizes NMR research results collected over the past three decades for a wide range of materials—from nanomaterials and nanocomposites to biomaterials, cells, tissues, and seeds. This book describes the applications of important new NMR spectroscopic methods to a variety of useful materials and compares them with results from other techniques such as adsorption, differential scanning calorimetry, thermally stimulated depolarization current, dielectric relaxation spectroscopy, infrared spectroscopy, optical microscopy, and small-angle and wide-angle x-ray scattering. The text explores the application of NMR spectroscopy to examine interfacial phenomena in objects of increasing complexity, beginning with unmodified and modified silica materials. It then describes properties of various mixed oxides with comparisons to individual oxides and also describes carbon materials such as graphite and carbon nanotubes. Chapters deal with carbon–mineral hybrids and their mosaic surface structures, and interfacial phenomena at the surface of natural and synthetics polymers. They also explore a variety of biosystems, which are much more complex, including biomacromolecules (proteins, DNA, and lipids), cells and tissues, and seeds and herbs. The authors cover trends in interfacial phenomena investigations, and the final chapter describes NMR and other methods used in the book. This text presents a comprehensive description of a large array of hard and soft materials, allowing the analysis of the structure–property relationships and generalities on the interfacial behavior of materials and adsorbates.

Geochemistry of Geologic CO2 Sequestration

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Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 1501508075
Total Pages : 556 pages
Book Rating : 4.5/5 (15 download)

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Book Synopsis Geochemistry of Geologic CO2 Sequestration by : Donald J. DePaolo

Download or read book Geochemistry of Geologic CO2 Sequestration written by Donald J. DePaolo and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 556 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 77 of Reviews in Mineralogy and Geochemistry focuses on important aspects of the geochemistry of geological CO2 sequestration. It is in large part an outgrowth of research conducted by members of the U.S. Department of Energy funded Energy Frontier Research Center (EFRC) known as the Center for Nanoscale Control of Geologic CO2 (NCGC). Eight out of the 15 chapters have been led by team members from the NCGC representing six of the eight partner institutions making up this center - Lawrence Berkeley National Laboratory (lead institution, D. DePaolo - PI), Oak Ridge National Laboratory, The Ohio State University, the University of California Davis, Pacific Northwest National Laboratory, and Washington University, St. Louis.

Kinetics of Water-Rock Interaction

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Publisher : Springer Science & Business Media
ISBN 13 : 0387735631
Total Pages : 843 pages
Book Rating : 4.3/5 (877 download)

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Book Synopsis Kinetics of Water-Rock Interaction by : Susan Brantley

Download or read book Kinetics of Water-Rock Interaction written by Susan Brantley and published by Springer Science & Business Media. This book was released on 2007-12-29 with total page 843 pages. Available in PDF, EPUB and Kindle. Book excerpt: Geochemical kinetics as a topic is now of importance to a wide range of geochemists in academia, industry, and government, and all geochemists need a rudimentary knowledge of the field. This book summarizes the fundamentals of geochemical kinetics with examples drawn especially from mineral dissolution and precipitation. It also encompasses discussion of high temperature processes and global geochemical cycle modeling. Analysis of textures of rocks, sediments, and mineral surfaces are incorporated throughout and provide a sub-theme of the book.

Specific Ion Effects

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Publisher : World Scientific
ISBN 13 : 9814271586
Total Pages : 347 pages
Book Rating : 4.8/5 (142 download)

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Book Synopsis Specific Ion Effects by : Werner Kunz

Download or read book Specific Ion Effects written by Werner Kunz and published by World Scientific. This book was released on 2010 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specific ion effects are important in numerous fields of science and technology. This book summarizes the main ideas that came up over the years. It presents the efforts of theoreticians and supports it by the experimental results stemming from various techniques.

Physics of Surfaces and Interfaces

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Publisher : Springer Science & Business Media
ISBN 13 : 3540347100
Total Pages : 653 pages
Book Rating : 4.5/5 (43 download)

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Book Synopsis Physics of Surfaces and Interfaces by : Harald Ibach

Download or read book Physics of Surfaces and Interfaces written by Harald Ibach and published by Springer Science & Business Media. This book was released on 2006-11-18 with total page 653 pages. Available in PDF, EPUB and Kindle. Book excerpt: This graduate-level textbook covers the major developments in surface sciences of recent decades, from experimental tricks and basic techniques to the latest experimental methods and theoretical understanding. It is unique in its attempt to treat the physics of surfaces, thin films and interfaces, surface chemistry, thermodynamics, statistical physics and the physics of the solid/electrolyte interface in an integral manner, rather than in separate compartments. It is designed as a handbook for the researcher as well as a study-text for graduate students. Written explanations are supported by 350 graphs and illustrations.

Mineral-Water Interface Geochemistry

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Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 1501509136
Total Pages : 620 pages
Book Rating : 4.5/5 (15 download)

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Book Synopsis Mineral-Water Interface Geochemistry by : Michael F. Hochella

Download or read book Mineral-Water Interface Geochemistry written by Michael F. Hochella and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 620 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 23 of Reviews in Mineralogy and accompanying MSA short course covers chemical reactions that take place at mineral-water interfaces. We believe that this book describes most of the important concepts and contributions that have driven mineral-water interface geochemistry to its present state. We begin in Chapter 1 with examples of the global importance of mineral-water interface reactions and a brief review of the contents of the entire book. Thereafter, we have divided the book into four sections, including atomistic approaches (Chapters 2- 3), adsorption (Chapters 4-8), precipitation and dissolution (Chapters 9-11), and oxidation-reduction reactions (Chapters 11-14).

Spring Meeting

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Publisher :
ISBN 13 :
Total Pages : 1148 pages
Book Rating : 4.4/5 (145 download)

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Book Synopsis Spring Meeting by : American Geophysical Union. Meeting

Download or read book Spring Meeting written by American Geophysical Union. Meeting and published by . This book was released on 1993 with total page 1148 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Superlubricity

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Publisher : Elsevier
ISBN 13 : 008052530X
Total Pages : 525 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Superlubricity by : Ali Erdemir

Download or read book Superlubricity written by Ali Erdemir and published by Elsevier. This book was released on 2007-03-30 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: Superlubricity is defined as a sliding regime in which friction or resistance to sliding vanishes. It has been shown that energy can be conserved by further reducing/removing friction in moving mechanical systems and this book includes contributions from world-renowned scientists who address some of the most fundamental research issues in overcoming friction. Superlubricity reviews the latest methods and materials in this area of research that are aimed at removing friction in nano-to-micro scale machines and large scale engineering components. Insight is also given into the atomic-scale origins of friction in general and superlubricity while other chapters focus on experimental and practical aspects or impacts of superlubricity that will be very useful for broader industrial community.* Reviews the latest fundamental research in superlubricity today* Presents 'state-of-the-art' methods, materials, and experimental techniques* Latest developments in tribomaterials, coatings, and lubricants providing superlubricity

Ab Initio Molecular Dynamics

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Publisher : Cambridge University Press
ISBN 13 : 1139477196
Total Pages : 503 pages
Book Rating : 4.1/5 (394 download)

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Book Synopsis Ab Initio Molecular Dynamics by : Dominik Marx

Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2009-04-30 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.

Mineral Surfaces

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Publisher : Springer
ISBN 13 :
Total Pages : 388 pages
Book Rating : 4.:/5 (318 download)

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Book Synopsis Mineral Surfaces by : D. Vaughan

Download or read book Mineral Surfaces written by D. Vaughan and published by Springer. This book was released on 1995 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: 30% discount for members of The Mineralogical Society of Britain and Ireland This text summarises the state-of-the-art in the study of mineral surfaces and some of the key applications of surface science in mineralogy and mineral chemistry. Each chapter covers a particular aspect of the subject and is written by an expert who raises the key issues involved for those requiring an introduction to the subject, whilst highlighting most recent developments. Advanced undergraduates, postgraduates and researchers alike will find this essential reading as it is the first book to review the fast developing field of mineral surfaces.

Intermolecular and Surface Forces

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Publisher : Academic Press
ISBN 13 : 0123919339
Total Pages : 708 pages
Book Rating : 4.1/5 (239 download)

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Book Synopsis Intermolecular and Surface Forces by : Jacob N. Israelachvili

Download or read book Intermolecular and Surface Forces written by Jacob N. Israelachvili and published by Academic Press. This book was released on 2011-07-22 with total page 708 pages. Available in PDF, EPUB and Kindle. Book excerpt: Intermolecular and Surface Forces describes the role of various intermolecular and interparticle forces in determining the properties of simple systems such as gases, liquids and solids, with a special focus on more complex colloidal, polymeric and biological systems. The book provides a thorough foundation in theories and concepts of intermolecular forces, allowing researchers and students to recognize which forces are important in any particular system, as well as how to control these forces. This third edition is expanded into three sections and contains five new chapters over the previous edition. - Starts from the basics and builds up to more complex systems - Covers all aspects of intermolecular and interparticle forces both at the fundamental and applied levels - Multidisciplinary approach: bringing together and unifying phenomena from different fields - This new edition has an expanded Part III and new chapters on non-equilibrium (dynamic) interactions, and tribology (friction forces)

Oil & Gas Science and Technology

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Publisher :
ISBN 13 :
Total Pages : 1106 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis Oil & Gas Science and Technology by :

Download or read book Oil & Gas Science and Technology written by and published by . This book was released on 2005 with total page 1106 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Spectroscopy of Complex Oxide Interfaces

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Publisher : Springer
ISBN 13 : 3319749897
Total Pages : 326 pages
Book Rating : 4.3/5 (197 download)

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Book Synopsis Spectroscopy of Complex Oxide Interfaces by : Claudia Cancellieri

Download or read book Spectroscopy of Complex Oxide Interfaces written by Claudia Cancellieri and published by Springer. This book was released on 2018-04-09 with total page 326 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book summarizes the most recent and compelling experimental results for complex oxide interfaces. The results of this book were obtained with the cutting-edge photoemission technique at highest energy resolution. Due to their fascinating properties for new-generation electronic devices and the challenge of investigating buried regions, the book chiefly focuses on complex oxide interfaces. The crucial feature of exploring buried interfaces is the use of soft X-ray angle-resolved photoemission spectroscopy (ARPES) operating on the energy range of a few hundred eV to increase the photoelectron mean free path, enabling the photons to penetrate through the top layers – in contrast to conventional ultraviolet (UV)-ARPES techniques. The results presented here, achieved by different research groups around the world, are summarized in a clearly structured way and discussed in comparison with other photoemission spectroscopy techniques and other oxide materials. They are complemented and supported by the most recent theoretical calculations as well as results of complementary experimental techniques including electron transport and inelastic resonant X-ray scattering.

Physics Briefs

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Publisher :
ISBN 13 :
Total Pages : 790 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Physics Briefs by :

Download or read book Physics Briefs written by and published by . This book was released on 1991 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Molecular Modeling Theory

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Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 1501508725
Total Pages : 544 pages
Book Rating : 4.5/5 (15 download)

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Book Synopsis Molecular Modeling Theory by : Randall T. Cygan

Download or read book Molecular Modeling Theory written by Randall T. Cygan and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 42 of Reviews in Mineralogy and Geochemistry covers the Applications in the Geosciences via Molecular Modeling Theory. We hope the content of this review volume will help the interested reader to quickly develop an appreciation for the fundamental theories behind the molecular modeling tools and to become aware of the limits in applying these state-of-the-art methods to solve geosciences problems. The review chapters in this volume were the basis for a short course on molecular modeling theory jointly sponsored by the Geochemical Society (GS) and the Mineralogical Society of America (MSA) May 18-20, 2001 in Roanoke, Virginia which was held prior to the 2001 Goldschmidt Conference in nearby Hot Springs, Virginia.

Carbon Dioxide and Organometallics

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Publisher : Springer
ISBN 13 : 3319220780
Total Pages : 313 pages
Book Rating : 4.3/5 (192 download)

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Book Synopsis Carbon Dioxide and Organometallics by : Xiao-Bing Lu

Download or read book Carbon Dioxide and Organometallics written by Xiao-Bing Lu and published by Springer. This book was released on 2015-08-26 with total page 313 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Organometallic Chemistry presents critical overviews of research results in organometallic chemistry. As our understanding of organometallic structure, properties and mechanisms increases, new ways are opened for the design of organometallic compounds and reactions tailored to the needs of such diverse areas as organic synthesis, medical research, biology and materials science. Thus the scope of coverage includes a broad range of topics of pure and applied organometallic chemistry, where new breakthroughs are being achieved that are of significance to a larger scientific audience. The individual volumes of Topics in Organometallic Chemistry are thematic. Review articles are generally invited by the volume editors. All chapters from Topics in Organometallic Chemistry are published OnlineFirst with an individual DOI. In references, Topics in Organometallic Chemistry is abbreviated as Top Organomet Chem and cited as a journal