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Book Oxide Minerals to Aqueous Oxide Clusters  Insights for Geochemistry from NMR and DFT

Download or read book Oxide Minerals to Aqueous Oxide Clusters Insights for Geochemistry from NMR and DFT written by Christopher A. Colla and published by . This book was released on 2017 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The work described in this dissertation details the use of discrete metal-oxide clusters as models for the chemistry and dynamics of molecules at mineral surfaces and edges. I have coupled theoretical calculations with experimental procedures to assess the validity of several scientific hypotheses. In my first project I synthesize and isotopically enrich two uranyl minerals, and one intermediate amorphous phase, to unravel the structure-reactivity relationships in these materials as they convert. I calculate Nuclear Magnetic chemical shift tensors from density functional theory (DFT) to aid in the assignment of structurally important sites in the materials. In project two I show how the theoretical cluster approach can be used to solve problems in isotope geochemistry, specifically I calculate the isotopic-fractionation factors between [Mg(OH2)6]2+ and the mineral brucite to elucidate a striking disagreement between experiments and predictions. In my third project I introduce a flat aluminum polyoxocation that has sites that resembles surface and edge sites of aluminum hydroxides and clay minerals. I study the chemical-exchange dynamics of molecules with sites on this cluster using both 27Al and 17O NMR. In my last project I use theoretical predictions based upon Density Functional Theory (DFT) to compute the 17O NMR chemical shifts of the flat aluminum polyoxocation that I presented in my fourth chapter. I use these methods to assign the 17O NMR signals of this elusive cluster. The overarching purpose of this work is to show how metal-oxide clusters can be approached from many angles to infer detailed molecular information about mineral-water interface interactions. Whether it be solving problems in speciation or calculating isotopic fractionation, the method is robust. In the Appendix of this dissertation I have compiled a variety of scientific publications to which I have contributed that exemplify the cluster approach to solving geochemical problems.

Book The Aqueous Chemistry of Oxides

Download or read book The Aqueous Chemistry of Oxides written by Bruce C. Bunker and published by Oxford University Press. This book was released on 2016-02-02 with total page 645 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Aqueous Chemistry of Oxides is a single-volume text that encapsulates all of the critical issues associated with how oxide materials interact with aqueous solutions. It serves as a central reference for academics working with oxides in the contexts of geology, various types of inorganic chemistry, and materials science. The text also has utility for professionals working with industrial applications in which oxides are either prepared or must perform in aqueous environments. The volume is organized into five key sections. Part One features two introductory chapters, intended to introduce the mutual interests of engineers, chemists, geologists, and industrial scientists in the physical and chemical properties of oxide materials. Part Two provides the essential and fundamental principles that are critical to understanding most of the major reactions between water and oxides. Part Three deals with the synthesis of oxide materials in aqueous media. Part Four deals with oxide-water reactions and their environmental and technological impacts, and Part Five is devoted to other types of relevant reactions. The Aqueous Chemistry of Oxides is the first book that provides a comprehensive summary of all of the critical reactions between oxides and water in a single volume. As such, it ties together a wide range of existing books and literature into a central location that provides a key reference for understanding and accessing a broad range of more specialized topics. The book contain over 300 figures and tables.

Book Oxide Zone Geochemistry

Download or read book Oxide Zone Geochemistry written by Peter A. Williams and published by Ellis Horwood. This book was released on 1990 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Oxide Surfaces

    Book Details:
  • Author :
  • Publisher : Elsevier
  • Release : 2001-05-21
  • ISBN : 0080538312
  • Pages : 677 pages

Download or read book Oxide Surfaces written by and published by Elsevier. This book was released on 2001-05-21 with total page 677 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book is a multi-author survey (in 15 chapters) of the current state of knowledge and recent developments in our understanding of oxide surfaces. The author list includes most of the acknowledged world experts in this field. The material covered includes fundamental theory and experimental studies of the geometrical, vibrational and electronic structure of such surfaces, but with a special emphasis on the chemical properties and associated reactivity. The main focus is on metal oxides but coverage extends from 'simple' rocksalt materials such as MgO through to complex transition metal oxides with different valencies.

Book Soil Mineralogy with Environmental Applications

Download or read book Soil Mineralogy with Environmental Applications written by Joe Boris Dixon and published by . This book was released on 2002 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Few books achieve a connection between scientifc theory and real world environmental problems, but this one does. Generous use of color images, exercises, and case studies make it friendly for the classroom or non-mineralogist. Discover crystallography, surface chemistry, mineral-solution equilibria, organic matter, and soil mineral analysis. The book includes a lengthy exploration of world-wide applications of mineralogy in soil taxonomy, tectonics, radionuclides, pesticides, enzymes, and more.

Book Spectroscopic Methods in Mineralogy and Material Sciences

Download or read book Spectroscopic Methods in Mineralogy and Material Sciences written by Grant Henderson and published by Walter de Gruyter GmbH & Co KG. This book was released on 2014-11-21 with total page 820 pages. Available in PDF, EPUB and Kindle. Book excerpt: Spectroscopic Methods in Mineralogy and Material Science covers significant advances in the technological aspects and applications of spectroscopic and microscopic techniques used in the Earth and Materials Sciences. The current volume compliments the now classic Volume 18, Spectroscopic Methods in Mineralogy and Geology, which became an essential resource to many scientists and educators for the past two decades. This volume updates techniques covered in Volume 18, and introduces new techniques available for probing the secrets of Earth materials, such as X-ray Raman and Brillouin spectroscopy. Other important topics including Transmission Electron Microscopy (TEM) and Atomic Force Microscopy (AFM) are also covered.

Book Mineral Water Interface Geochemistry

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).

Book The Role of Halogens in Terrestrial and Extraterrestrial Geochemical Processes

Download or read book The Role of Halogens in Terrestrial and Extraterrestrial Geochemical Processes written by Daniel E. Harlov and published by Springer. This book was released on 2018-01-30 with total page 1029 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book summarizes the knowledge and experiences concerning the role of halogens during various geochemical processes, such as diagenesis, ore-formation, magma evolution, metasomatism, mineralization, and metamorphism in the crust and mantle of the Earth. It comprises the role of halogens in other terrestrial worlds like volatile-rich asteroids, Mars, and the ice moons of Jupiter and Saturn. Review chapters outline and expand upon the basis of our current understanding regarding how halogens contribute to the geochemical/geophysical evolution and stability of terrestrial worlds overall.

Book Molecular Modeling Theory

    Book Details:
  • Author : Randall T. Cygan
  • Publisher : Walter de Gruyter GmbH & Co KG
  • Release : 2018-12-17
  • ISBN : 1501508725
  • Pages : 544 pages

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.

Book Polymeric and Self Assembled Hydrogels

Download or read book Polymeric and Self Assembled Hydrogels written by Xian Jun Loh and published by Royal Society of Chemistry. This book was released on 2013 with total page 275 pages. Available in PDF, EPUB and Kindle. Book excerpt: The only book to give a complete picture of current hydrogel research, covering all the major applications as well as the fundamental principles behind them.

Book Environmental Mineralogy

Download or read book Environmental Mineralogy written by J. D. Cotter-Howells and published by . This book was released on 2000 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Book Nanocatalysts

    Book Details:
  • Author : Indrajit Sinha
  • Publisher : BoD – Books on Demand
  • Release : 2019-07-31
  • ISBN : 1789841593
  • Pages : 170 pages

Download or read book Nanocatalysts written by Indrajit Sinha and published by BoD – Books on Demand. This book was released on 2019-07-31 with total page 170 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanocatalysis is a topical area of research that has huge potential. It attempts to merge the advantages of heterogeneous and homogeneous catalysis. The collection of articles in this book treats the topics of specificity, activity, reusability, and stability of the catalyst and presents a compilation of articles that focuses on different aspects of these issues.

Book Surface and Interface Chemistry of Clay Minerals

Download or read book Surface and Interface Chemistry of Clay Minerals written by Robert Schoonheydt and published by Elsevier. This book was released on 2018-11-05 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: Surface and Interface Chemistry of Clay Minerals, Volume 9, delivers a fundamental understanding of the surface and interface chemistry of clay minerals, thus serving as a valuable resource for researchers active in the fields of materials chemistry and sustainable chemistry. Clay minerals, with surfaces ranging from hydrophilic, to hydrophobic, are widely studied and used as adsorbents. Adsorption can occur at the edges and surfaces of clay mineral layers and particles, and in the interlayer region. This diversity in properties and the possibility to tune the surface properties of clay minerals to match the properties of adsorbed molecules is the basis for study. This book requires a fundamental understanding of the surface and interface chemistry of clay minerals, and of the interaction between adsorbate and adsorbent. It is an essential resource for clay scientists, geologists, chemists, physicists, material scientists, researchers, and students. Presents scientists and engineers with a resource they can rely on for their own research and work involving clay minerals Includes an in-depth look at ion exchange, adsorption of inorganic and organic molecules, including polymers and proteins, and catalysis occurring at the surfaces of clay minerals Includes materials chemistry of clay minerals with chiral clay minerals, optical materials and functional films

Book Advanced Organic Chemistry of Nucleic Acids

Download or read book Advanced Organic Chemistry of Nucleic Acids written by Zoe A. Shabarova and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 603 pages. Available in PDF, EPUB and Kindle. Book excerpt: Sequencing, cloning, transcription - these are but a few key techniques behind the current breathtaking advances in molecular biology and biochemistry. As these methods continuosly diversify, biochemists need a sound chemical understanding to keep the pace. Chemists beginning working in the molecular biology lab need an introduction to this field from their point of view. This book serves both: it describes most of the known chemical reactions of nucleosides, nucleotides, and nucleic acids in sufficient detail to provide the desired background, and additionally, the fundamental relations between sequence, structure and functionality of nucleic acids are presented. The first edition of this book, which was published in Russian, has immediately become a recognized standard reference. This second, thoroughly revised and updated edition, now published in English, is likely to achieve a similar position in the international scientific community.

Book Spectroscopic Methods in Mineralogy and Geology

Download or read book Spectroscopic Methods in Mineralogy and Geology written by Frank C. Hawthorne and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 716 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 18 of Reviews in Mineralogy provides a general introduction to the use of spectroscopic techniques in Earth Sciences. It gives an Introduction To Spectroscopic Methods and covers Symmetry, Group Theory And Quantum Mechanics; Spectrum-Fitting Methods; Infrared And Raman Spectroscopy; Inelastic Neutron Scattering; Vibrational Spectroscopy Of Hydrous Components; Optical Spectroscopy; Mossbauer Spectroscopy; MAS NMR Spectroscopy Of Minerals And Glasses; NMR Spectroscopy And Dynamic Processes In Mineralogy And Geochemistry; X-Ray Absorption Spectroscopy: Applications In Mineralogy ind Geochemistry; Electron Paramagnetic Resonance; Auger Electron And X-Ray Photelectron Spectroscopies and Luminescence, X-Ray Emission and New Spectroscopies. The authors of this volume presented a short course, entitled "Spectroscopic Methods in Mineralogy and Geology", May 13-15, 1988, in Hunt Valley, Maryland.

Book Natural Microporous Materials in Environmental Technology

Download or read book Natural Microporous Materials in Environmental Technology written by P. Misaelides and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 506 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Research Workshop on the Application of Natural Microporous Materials for Environmental Technology, Smolenice Castle, Slovakia, 26-30 October 1998

Book Nano and Bio Based Technologies for Wastewater Treatment

Download or read book Nano and Bio Based Technologies for Wastewater Treatment written by Elvis Fosso-Kankeu and published by John Wiley & Sons. This book was released on 2019-05-21 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presents recent challenges related to new forms of pollution from industries and discusses adequate state-of-the-art technologies capable to remediate such forms of pollution. Over the past few decades the boom in the industrial sector has contributed to the release in the environment of pollutants that have no regulatory status and which may have significant impact on the health of humans and animals. These pollutants also referred to as "emerging pollutants", are mostly aromatic compounds which derive from excretion of pharmaceutical, industrial effluents and municipal discharge. It is recurrent these days to find water treatment plants which no longer produce water that fits the purpose of domestic consumption based on newly established guidelines. This situation has prompted water authorities and researchers to develop tools for proper prediction and control of the dispersion of pollutants in the environment to ensure that appropriate measures are taken to prevent the occurrence of outbreaks due to sudden load of these pollutants in the water system. The chapters in this book cover a wide range of nano and bio-based techniques that have been designed for the real time detection of emerging contaminants in environmental water sources, geochemical models that are continuously improved for the prediction of inorganic contaminants migration from the mine solid wastes into ground and surface waters. Remediation strategies are also discussed and include effective techniques based on nanotechnology, advanced membrane filtration, oxidative and bio-degradation processes using various types of nanocatalysts, biocatalysts or supporting polymer matrices which are under advanced investigations for their implementation at large scale for the removal of recalcitrant pollutants from polluted water. Nano and Bio-Based Technologies for Wastewater Treatment: Prediction and Control Tools for the Dispersion of Pollutants in the Environment is divided is two sections. The first section covers the occurrence of emerging pollutants in environmental water while the second section covers state-of-the-art research on the removal of emerging pollutants from water using sustainable technologies. A total of 13 chapters addressing various topics related to the two sections are essentially based on recent developments in the respective field which could have a significant impact on the enhancement of the performance of wastewater treatment plants around the world, and especially in developing countries where access to clean and safe water remains a daily challenge.