Download or read book Molecular Dynamics of Interfacial Water and Cations Associated with Clay Minerals written by and published by . This book was released on 2012 with total page 23 pages. Available in PDF, EPUB and Kindle. Book excerpt:

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 428 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

Download or read book Molecular Modeling of Clays and Mineral Surfaces written by James David Kubicki and published by . This book was released on 2003 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Low temperature Phases of Interfacial Water in Clay water Systems written by Duwayne Marlo Anderson and published by . This book was released on 1970 with total page 28 pages. Available in PDF, EPUB and Kindle. Book excerpt: Low temperature differential thermal analyses of selected clay-water systems were made to locate important phase change temperatures and to define fruitful temperature-pressure fields for precise calorimetric investigation. In addition to an exotherm corresponding to initial freezing, one, two or three exotherms were observed between -35C and -60C. The low temperature exotherms do not depend critically upon water content, but clearly they are related to clay mineral and exchangeable cation type. The evolution of heat in this temperature range probably corresponds to a phase change in the interfacial water. (Author).

Download or read book Inelastic Neutron Scattering and Molecular Simulation of the Dynamics of Interlayer Water in Smectite Clay Minerals written by and published by . This book was released on 2015 with total page 15 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of mineral-water interfaces is of great importance to a variety of applications including oil and gas extraction, gas subsurface storage, environmental contaminant treatment, and nuclear waste repositories. Understanding the fundamentals of that interface is key to the success of those applications. Confinement of water in the interlayer of smectite clay minerals provides a unique environment to examine the interactions among water molecules, interlayer cations, and clay mineral surfaces. Smectite minerals are characterized by a relatively low layer charge that allows the clay to swell with increasing water content. Montmorillonite and beidellite varieties of smectite were investigated to compare the impact of the location of layer charge on the interlayer structure and dynamics. Inelastic neutron scattering of hydrated and dehydrated cation-exchanged smectites was used to probe the dynamics of the interlayer water (200-900 cm-1 spectral region) and identify the shift in the librational edge as a function of the interlayer cation. Molecular dynamics simulations of equivalent phases and power spectra, derived from the resulting molecular trajectories, indicate a general shift in the librational behavior with interlayer cation that is generally consistent with the neutron scattering results for the monolayer hydrates. Both neutron scattering and power spectra exhibit librational structures affected by the location of layer charge and by the charge of the interlayer cation. Furthermore, divalent cations (Ba2+ and Mg2+) characterized by large hydration enthalpies typically exhibit multiple broad librational peaks compared to monovalent cations (Cs+ and Na+), which have relatively small hydration enthalpies.

Download or read book Clay water Interface and Its Rheological Implications written by Necip Güven and published by . This book was released on 1992 with total page 264 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Molecular Dynamics Simulation of Crystalline Swelling and Failure Properties of Montmorillonite Clay written by Babak Abbasi and published by . This book was released on 2017 with total page 114 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clay minerals play considerable importance in geotechnical, agricultural, and pharmaceutical applications. They are made of plate-like particles with micrometer dimensions and play a critical role in problems involving swelling, deformation, and failure in geomaterials. Understanding of these phenomena and the parameters that influence them requires studies at the nanoscale.

Download or read book Molecular Dynamics Simulation of Interactions Between Clay Minerals and a Controlled Organic Phase written by Qian Zhao and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Engineered organoclays are 2:1 phyllosilicate soils that have been synthesized with a controlled interlayer organic phase to exhibit enhanced strength, lower compressibility, and stronger retention of organic compounds. Engineered organoclays are highly sorptive, and have a variety of potential engineering applications as sorbents or amendments in engineered earthen barrier systems. Previous studies examined the impact of the organic coating on a soil's physical properties; however, the geochemical behaviors of organoclays, especially their interaction with organic compounds at the micro-scale, remained relatively unquantified. This study investigated the engineering behavior of montmorillonite modified with a variety of quaternary ammonium cations (QAC clays) with controlled structure and density of loading. Molecular dynamics simulations were used to model the surfactant arrangement, geochemical processes in the QAC-clay interlayer, including organic compound sorption and mass transport, as well as the surface electrokinetics of suspended QAC-clay particles. All simulations were carried out based on the combined force field of ClayFF and the Consistent-Valence Force Field to ensure the accuracy of the simulation results, and results yielded insight into the prediction of synthesized QAC-clay behaviors as sorptive material for non-polar organic compounds.

Download or read book The Chemistry of Clay Minerals written by and published by Elsevier. This book was released on 2011-09-21 with total page 223 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Chemistry of Clay Minerals

Download or read book Intermolecular Forces written by Bernard Pullman and published by Springer. This book was released on 1981-08-31 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the 14th Jerusalem Symposium on Quantum Chemistry and Biochemistry, Jerusalem, Israel, April 13-16, 1981

Download or read book Chemistry of Clays and Clay Minerals written by A. C. D. Newman and published by John Wiley & Sons. This book was released on 1987-08-12 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: Bringing together information widely distributed throughout scientific and industrial journals, here is an overview of the chemical consititution and properties of clay minerals and the environmental conditions that lead to their formation. Provides a detailed picture of the chemical consititution of the eight main groups of clay minerals containing silica and of the non-siliceous oxide clays. The central section of the book deals with the properties of clays: their colloidal behavior, cation exchange, interaction with water, reactions on heating, catalytic properties, and reactions with organic compounds. Also discusses the chemical conditions that favor the formation of clays and their evolution or decomposition into other materials.

Download or read book Microscopic and Spectroscopic Methods for Probing the Clay Water Interface written by Christopher Adam Heist and published by . This book was released on 2010 with total page 94 pages. Available in PDF, EPUB and Kindle. Book excerpt: A new method of studying the swelling dynamics of clay minerals was developed using in situ atomic force microscopy (AFM). The preliminary results presented here demonstrate that this technique allows one to study individual clay mineral unit layers, explore the natural heterogeneities of samples, and monitor swelling dynamics of clay minerals in real time. Cation exchange experiments were conducted monitoring the swelling change of individual nontronite quasi-crystals as the chemical composition of the surrounding environment was manipulated several times. A proof of concept study has shown that the changes in swelling are from the exchange of interlayer cations and not from the mechanical force of replacing the solution in the fluid cell. A series of attenuated total internal reflection Fourier transform infrared spectroscopy (ATR-FTIR) experiments were performed to gain a better understanding of the organization of water within the interlayer region of two Fe-bearing clay minerals.

Download or read book Containment of High Level Radioactive and Hazardous Solid Wastes with Clay Barriers written by Raymond N. Yong and published by CRC Press. This book was released on 2010-05-31 with total page 481 pages. Available in PDF, EPUB and Kindle. Book excerpt: One of the principal objections to or problems with the use of nuclear fuel is that a proven method for safe disposal of spent nuclear fuel has yet to be established. The central focus of most schemes underway to dispose of these high-level radioactive wastes relies on clay-based buffers and barriers to isolate spent fuel canisters in borehole

Download or read book Reactive Transport in Natural and Engineered Systems written by Jennifer Druhan and published by Walter de Gruyter GmbH & Co KG. This book was released on 2020-03-04 with total page 514 pages. Available in PDF, EPUB and Kindle. Book excerpt: Open system behavior is predicated on a fundamental relationship between the timescale over which mass is transported and the timescale over which it is chemically transformed. This relationship describes the basis for the multidisciplinary field of reactive transport (RT). In the 20 years since publication of Review in Mineralogy and Geochemistry volume 34: Reactive Transport in Porous Media, RT principles have expanded beyond early applications largely based in contaminant hydrology to become broadly utilized throughout the Earth Sciences. RT is now employed to address a wide variety of natural and engineered systems across diverse spatial and temporal scales, in tandem with advances in computational capability, quantitative imaging and reactive interface characterization techniques. The present volume reviews the diversity of reactive transport applications developed over the past 20 years, ranging from the understanding of basic processes at the nano- to micrometer scale to the prediction of Earth global cycling processes at the watershed scale. Key areas of RT development are highlighted to continue advancing our capabilities to predict mass and energy transfer in natural and engineered systems.

Download or read book Course of Theoretical Physics written by L. D. Landau and published by Elsevier. This book was released on 2013-06-01 with total page 563 pages. Available in PDF, EPUB and Kindle. Book excerpt: Course of Theoretical Physics, Volume 5: Statistical Physics, Third Edition, Part 1 covers the fundamental principles of statistical physics and thermodynamic quantities. The book discusses the Gibbs and Maxwellian distributions; the Boltzmann distribution for ideal gases; and the Fermi and Bose distributions. Solids are tackled with regard to their application of statistical methods of calculating the thermodynamic quantities. The book describes the deviations of gases from the ideal state, conditions of phase equilibrium, solutions, and chemical reactions. The text also discusses the properties of matter at very high density; the Gaussian distribution; fluctuations of the fundamental thermodynamic quantities; and fluctuations in solids and ideal gases. The symmetry of crystals; phase transitions of the second kind and critical phenomena; and surfaces are considered as well. Students taking statistical physics and those involved in the areas of statistical physics will find the book invaluable.

Download or read book Handbook of Clay Science written by Faïza Bergaya and published by Elsevier. This book was released on 2011-09-14 with total page 1248 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first general texts on clay mineralogy and the practical applications of clay, written by R.E. Grim, were published some 40-50 years ago. Since then, a vast literature has accumulated but this information is scattered and not always accessible. The Handbook of Clay Science aims at assembling the scattered literature on the varied and diverse aspects that make up the discipline of clay science. The topics covered range from the fundamental structures (including textures) and properties of clays and clay minerals, through their environmental, health and industrial applications, to their analysis and characterization by modern instrumental techniques. Also included are the clay-microbe interaction, layered double hydroxides, zeolites, cement hydrates, genesis of clay minerals as well as the history and teaching of clay science. No modern book in the English language is available that is as comprehensive and wide-ranging in coverage as the Handbook of Clay Science.In providing a critical and up-to-date assessment of the accumulated information, this will serve as the first point of entry into the literature for both newcomers and graduate students, while for research scientists, university teachers, industrial chemists, and environmental engineers the book will become a standard reference text.* Presents contributions from 66 authors from 18 different countries who have come together to produce the most comprehensive modern handbook on clay science* Provides up-to-date concepts, properties, and reactivity of clays and clay minerals in a one-stop source of information* Covers classical and new environmental, industrial, and health applications of clays, as well as the instrumental techniques for clay mineral analysis* Combines geology, mineralogy, crystallography with physics, geotechnology, and soil mechanics together with inorganic, organic, physical, and colloid chemistry for a truly multidisciplinary approach

Download or read book Multiscale Experimental and Numerical Study of the Structure and the Dynamics of Water Confined in Clay Minerals written by Emmanuel Guillaud and published by . This book was released on 2017 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clay are complex minerals with a multiscale porosity and a remarkable ability to swell under humid atmosphere. These materials have many applications in catalysis, waste management, construction industry... However, the properties of confined water are still not fully understood, due in particular to the complexity of water itself. The aim of this work is, using mainly molecular simulations and vibrational spectroscopy, to understand the structure and the dynamics of water confined in clay minerals. To evaluate the accuracy of numerical models to describe water confined in clay minerals, and to understand the origin of its structural and dynamical properties, a large part of the work was devoted to the building blocks of clays: pure bulk water, water at the surface of a solid, and salt water. To this extent, the viscoelastic properties of water from the deeply supercooled regime to the boiling temperature were investigated using classical molecular dynamics. The evolution of the friction properties of water on a prototypical solid surface was also analyzed, and the accuracy of ab initio approaches and empirical salt models was studied.In a second part, those results were confronted to the properties of water confined in clay minerals at low and room temperature, studied both experimentally and numerically. Experimental work consisted mostly in extensive far- and -mid infrared absorption spectrometry measurements, whereas numerical work mainly consisted in empirical molecular dynamics simulations. Especially, the existence of confinement- or temperature-induced phase transitions of confined water was investigated.