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 Swelling Properties of Montmorillonite and Beidellite Clay Minerals from Molecular Simulation written by and published by . This book was released on 2015 with total page 12 pages. Available in PDF, EPUB and Kindle. Book excerpt: The swelling properties of smectite clay minerals are relevant to many engineering applications including environmental remediation, repository design for nuclear waste disposal, borehole stability in drilling operations, and additives for numerous industrial processes and commercial products. We used molecular dynamics and grand canonical Monte Carlo simulations to study the effects of layer charge location, interlayer cation, and temperature on intracrystalline swelling of montmorillonite and beidellite clay minerals. For a beidellite model with layer charge exclusively in the tetrahedral sheet, strong ion-surface interactions shift the onset of the two-layer hydrate to higher water contents. In contrast, for a montmorillonite model with layer charge exclusively in the octahedral sheet, weaker ion-surface interactions result in the formation of fully hydrated ions (two-layer hydrate) at much lower water contents. Clay hydration enthalpies and interlayer atomic density profiles are consistent with the swelling results. As a result, water adsorption isotherms from grand canonical Monte Carlo simulations are used to relate interlayer hydration states to relative humidity, in good agreement with experimental findings.

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 Current Topics in the Utilization of Clay in Industrial and Medical Applications written by Mansoor Zoveidavianpoor and published by Intechopen. This book was released on 2018 with total page 204 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clay and clay minerals have always been used since the ancient times for making ceramic materials and also as a building material. Over the past decades, there has been a growing trend in their applicability in different areas such as industries, environmental remediation and water treatment sectors. The growing trend is mainly associated with the fact that they are chemically and mechanically stable, have higher specific surface area and cation exchange capacity. Furthermore, clays can be modified to improve their functionalities in different sectors. In this chapter, we present a review of the structural, mineralogical and chemical properties of clay and the effect of surface modification in their structures. We further looked at their applicability in arsenic and fluoride removal in their raw and also in their modified form. Although the literature showed that modified clay minerals yields higher adsorption capacity as compared to raw clays little nothing has been reported yet in relation to the cost of modifying clays with chemical species. As such new studies should also elaborate on the cost effectiveness of modifying clay minerals with chemical species.

Download or read book A Pilot Study to the Application of Molecular Dynamics for Modelling Swelling clay Montmorillonite written by Owain Eason Gronow and published by . This book was released on 2010 with total page 152 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Earth Deep Interior High pressure Experiments and Theoretical Calculations From the Atomic to the Global Scale written by Lidong Dai and published by Frontiers Media SA. This book was released on 2022-07-12 with total page 123 pages. Available in PDF, EPUB and Kindle. Book excerpt:

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 Molecular Dynamics Specific Surface Area Crystal Composition and Swelling of Clay water Systems written by David J. Mulla and published by . This book was released on 1983 with total page 566 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Swelling Properties of Some Montmorillonite Clays in Water Systems written by Dwayne Harold Fink and published by . This book was released on 1962 with total page 164 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Clay Polymer Nanocomposites written by Khouloud Jlassi and published by Elsevier. This book was released on 2017-07-26 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clay–Polymer Nanocomposites is a complete summary of the existing knowledge on this topic, from the basic concepts of synthesis and design to their applications in timely topics such as high-performance composites, environment, and energy issues. This book covers many aspects of synthesis such as in- situ polymerization within the interlamellar spacing of the clays or by reaction of pristine or pre-modified clays with reactive polymers and prepolymers. Indeed, nanocomposites can be prepared at industrial scale by melt mixing. Regardless the synthesis method, much is said in this book about the importance of theclay pre-modification step, which is demonstrated to be effective, on many occasions, in obtaining exfoliated nanocomposites. Clay–Polymer Nanocomposites reports the background to numerous characterization methods including solid state NMR, neutron scattering, diffraction and vibrational techniques as well as surface analytical methods, namely XPS, inverse gas chromatography and nitrogen adsorption to probe surface composition, wetting and textural/structural properties. Although not described in dedicated chapters, numerous X-ray diffraction patterns of clay–polymer nanocomposites and reference materials are displayed to account for the effects of intercalation and exfoliations of layered aluminosilicates. Finally, multiscale molecular simulation protocols are presenting for predicting morphologies and properties of nanostructured polymer systems with industrial relevance. As far as applications are concerned, Clay–Polymer Nanocomposites examines structural composites such as clay–epoxy and clay–biopolymers, the use of clay–polymer nanocomposites as reactive nanocomposite fillers, catalytic clay-(conductive) polymers and similar nanocomposites for the uptake of hazardous compounds or for controlled drug release, antibacterial applications, energy storage, and more. - The most comprehensive coverage of the state of the art in clay–polymer nanocomposites, from synthesis and design to opportunities and applications - Covers the various methods of characterization of clay–polymer nanocomposites - including spectroscopy, thermal analyses, and X-ray diffraction - Includes a discussion of a range of application areas, including biomedicine, energy storage, biofouling resistance, and more

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 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 Challenges and Innovations in Geomechanics written by Marco Barla and published by Springer Nature. This book was released on 2021-01-14 with total page 1029 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gathers the latest advances, innovations, and applications in the field of computational geomechanics, as presented by international researchers and engineers at the 16th International Conference of the International Association for Computer Methods and Advances in Geomechanics (IACMAG 2020/21). Contributions include a wide range of topics in geomechanics such as: monitoring and remote sensing, multiphase modelling, reliability and risk analysis, surface structures, deep structures, dams and earth structures, coastal engineering, mining engineering, earthquake and dynamics, soil-atmosphere interaction, ice mechanics, landfills and waste disposal, gas and petroleum engineering, geothermal energy, offshore technology, energy geostructures, geomechanical numerical models and computational rail geotechnics.

Download or read book Simulation Methods for Polymers written by Michael Kotelyanskii and published by CRC Press. This book was released on 2004-03-01 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book The Origin of Clay Minerals in Soils and Weathered Rocks written by Bruce B. Velde and published by Springer Science & Business Media. This book was released on 2008-07-18 with total page 407 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of huge relevance in a number of fields, this is a survey of the different processes of soil clay mineral formation and the consequences of these processes concerning the soil ecosystem, especially plant and mineral. Two independent systems form soil materials. The first is the interaction of rocks and water, unstable minerals adjusting to surface conditions. The second is the interaction of the biosphere with clays in the upper parts of alteration profiles.

Download or read book The Chemistry of Soils written by Garrison Sposito and published by Oxford University Press. This book was released on 2016 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: A revised edition to the bestselling "The Chemistry of Soils" incorporating new research from the last eight years in the fields of environmental chemistry, ecosystem biogeochemistry, and scientific agriculture.

Download or read book The Rock Physics Handbook written by Gary Mavko and published by Cambridge University Press. This book was released on 2009-04-30 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: A significantly expanded new edition of this practical guide to rock physics and geophysical interpretation for reservoir geophysicists and engineers.