Download or read book A Molecular Modeling Exploration of Smectite Interlayers as Adsorption Sites for Inorganic and Organic Molecules written by Rebecca Ann Sutton and published by . This book was released on 2004 with total page 818 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics Simulation of the Adsorption of Emerging Organic Contaminants by Smectite Mineral Surfaces written by Jennifer A. R. Willemsen and published by . This book was released on 2021 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The partitioning of organic contaminants between water and solid surfaces is a key process controlling their fate and transport in natural environments. In this dissertation we present a novel methodology to predict the adsorption of organic contaminants by smectite clay minerals (high specific surface area adsorbents abundant in natural soils) using molecular dynamics simulations. The methodology models a stack of flexible smectite lamellae in direct contact with a bulk aqueous reservoir and uses the metadynamics technique to facilitate the exploration of the free energy landscape. The methodology was tested and validated in the case of six phthalate esters, widely used chemical plasticizers, and later applied to study the behavior of three per- and polyfluoroalkyl substances (PFASs). The latter were simulated at various aqueous chemistry conditions to examine the effect of salinity and coordinating cation type on adsorption. Finally, soil organic matter proxies were introduced to the system at different loadings to examine how mineral surface coatings affect the extent and mechanism of adsorption. Simulation predictions reveal strong contaminant adsorption, especially for the larger and more hydrophobic molecules. Adsorption is observed primarily on the exterior basal surfaces with a strong inverse relationship between extent of adsorption and clay surface charge density as contaminant molecules preferentially occupy the more hydrophobic uncharged patches on each surface. Detailed analysis of the adsorption energetics reveals large favorable entropic contributions to adsorption. Overall, this research establishes a computational methodology capable of predicting water-clay partition coefficients, advances the mechanistic understanding of contaminant-smectite interactions, and provides new insights that could help inform fate and transport models and the development of adsorbents and remediation techniques.
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 Dissertation Abstracts International written by and published by . This book was released on 2005 with total page 796 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Environmental Toxicology and Chemistry written by and published by . This book was released on 2006 with total page 676 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 Carbon Alloys written by E. Yasuda and published by Elsevier. This book was released on 2003-03-05 with total page 584 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years the Japanese have funded a comprehensive study of carbon materials which incorporate other elements including boron, nitrogen and fluorine, hence the title of the project "Carbon Alloys".Coined in 1992, the phrase "Carbon Alloys" can be applied to those materials mainly composed of carbon materials in multi-component systems. The carbon atoms of each component have a physical and/or chemical interactive relationship with other atoms or compounds. The carbon atoms of the components may have different hybrid bonding orbitals to create quite different carbon components.Eiichi Yasuda and his team consider the definition of Carbon Alloys, present the results of the Carbon Alloys projects, describe typical Carbon Alloys and their uses, discuss recent techniques for their characterization, and finally, illustrate potential applications and future developments for Carbon Alloy science. The book contains over thirty chapters on these studies from as many researchers.The most modern of techniques, particularly in the area of spectroscopy, were used as diagnostic tools, and many of these are applicable to pure carbons also. Porosity in carbons received considerable attention.
Download or read book Clay Materials for Environmental Remediation written by Suryadi Ismadji and published by Springer. This book was released on 2015-03-24 with total page 131 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive review of environmental remediation is presented with an emphasis on the role of clay minerals in water purification. In the first chapter, important aspects of environmental problems and possible solutions are discussed. In the second chapter, the application of natural clay minerals as environmental cleaning agents are explained. The discussion is focused on the role of different types of clay materials in hazardous substance removal from air, aqueous solutions, wastewater, aquaculture, ground water, etc. In the next chapter, the modification of clay materials is explored including the preparation of clay composite materials for environmental remediation. Various aspects of clay material modifications and the effects of clay surface chemistry on the removal of hazardous material is also discussed. Next, the equilibrium and kinetics of hazardous substance adsorption is presented. This chapter summarizes recent studies on the removal of hazardous substances from aqueous solutions and the environment using various types of clay minerals. The brief also includes various models used in adsorption studies and touches on the characterization of clay minerals.
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 Partition and Adsorption of Organic Contaminants in Environmental Systems written by Cary T. Chiou and published by John Wiley & Sons. This book was released on 2003-07-07 with total page 269 pages. Available in PDF, EPUB and Kindle. Book excerpt: Given the presence of a wide variety of contaminants in the environment, it is important to understand what drives a contaminant from one medium to another, as well as the manner and extent to which a contaminant associates with the different media or phases within a local environmental system. Partition and Adsorption of Organic Contaminants in Environmental Systems forms a comprehensive resource on the behavioral characteristics of contaminants so that appropriate strategies can be adopted to either prevent or minimize their adverse impacts on human welfare and natural resources. Cary Chiou’s far-reaching text depicts the processes by which nonionic organic contaminants are sorbed to natural biotic and abiotic substances. This book focuses on physical principles and system parameters that affect the contaminant uptake by soil from water, air, and other media; by fish from water; and by plants from soil and water. As contaminant uptake by natural organic substances is often predominantly a partition interaction, the partition characteristics in several solvent-water model mixtures are treated in detail to elucidate the relevant physicochemical parameters. The account of contaminant sorption to soils, fish, and plants is strengthened by companion chapters on: Fundamentals of solution theory Interphase partition equations Fundamentals of adsorption theory Vapor adsorption on mineral and carbonaceous solids No other single source in the field delivers as compelling a combination of background understanding and "state-of-the-science" comprehension of current issues. Ideally suited for a graduate-level environmental course, Partition and Adsorption of Organic Contaminants in Environmental Systems also serves as a technical guide to current and future research in the field.
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
Download or read book The Science of Clays written by Swapna Mukherjee and published by Springer Science & Business Media. This book was released on 2013-10-09 with total page 351 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an attempt to provide a comprehensive and coherent description of three widely separated aspects of clays: the science of clays; the industrial uses of clays; and the role of clays in the environment. Most of the existing literature lacks such an integrated study and this work endeavours to fill that gap. An exhaustive account of the science of clays is presented in Part I of the book, which includes the classification, origin and evolution, composition and internal structure, chemical and physical properties of clays; soil mechanics; and analytical techniques for determining clay constituents. Part II provides a comprehensive description of the applications of clays and their derivatives in various industries, while Part III describes the role of clays in the environment; the pollution caused by clay minerals; and the application of clays in order to prevent environmental hazards. A principal feature of the book is its explanation of how the structure and composition of particular clay types facilitate their specific industrial or environmental applications, thus describing the interrelationship between three widely varying aspects of clay. A number of thought-provoking questions are raised at the end of the work in order to leave readers with a better insight in this regard.
Download or read book Nanomaterials from Clay Minerals written by Aiqin Wang and published by Elsevier. This book was released on 2019-08-15 with total page 693 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanomaterials from Clay Minerals: A New Approach to Green Functional Materials details the structure, properties and modification of natural nanoscale clay minerals and their application as the green constituent of functional materials. Natural nanomaterials from clay minerals have diverse morphologies, from 1D to 3D, including nanorods, nanofibers, nanotubes, nanosheets and nanopores. These structures show excellent adsorption, reinforcing, supporter, electronic, catalytic and biocompatible properties and are great as sustainable alternatives for toxic or expensive artificial materials. This book provides systematic coverage of clay nanomaterials as eco-friendly resources, emphasizing the importance of such materials in a range of industries, including biomedicine, energy and electronics. This book will provide an important reference for materials scientists and engineers who have an interest in sustainable material development. Presents systematic coverage of a broad range of nanomaterials from clay minerals, including Kaolinite, Smectite and Halloysite Depicts use cases for each mineral in a variety of applications, such as drug delivery, agriculture, and in the reinforcement of polymer materials Provides an overview on the advantages and limitations of nanomaterials from clay minerals, as well as chapters on the future potential of such materials
Download or read book Clay Minerals and the Origin of Life written by Alexander Graham Cairns-Smith and published by CUP Archive. This book was released on 1986-12-18 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is the edited proceedings of a conference seeking to clarify the possible role of clays in the origin of life on Earth. At the heart of the problem of the origin of life lie fundamental questions such as: What kind of properties is a model of a primitive living system required to exhibit and what would its most plausible chemical and molecular makeup be? Answers to these questions have traditionally been sought in terms of properties that are held to be common to all contemporary organisms. However, there are a number of different ideas both on the nature and on the evolutionary priority of 'common vital properties', notably those based on protoplasmic, biochemical and genetic theories of life. This is therefore the first area for consideration in this volume and the contributors then examine to what extent the properties of clay match those required by the substance which acted as the template for life.
Download or read book Characterization of Porous Solids and Powders Surface Area Pore Size and Density written by S. Lowell and published by Springer Science & Business Media. This book was released on 2012-09-14 with total page 365 pages. Available in PDF, EPUB and Kindle. Book excerpt: The growth of interest in newly developed porous materials has prompted the writing of this book for those who have the need to make meaningful measurements without the benefit of years of experience. One might consider this new book as the 4th edition of "Powder Surface Area and Porosity" (Lowell & Shields), but for this new edition we set out to incorporate recent developments in the understanding of fluids in many types of porous materials, not just powders. Based on this, we felt that it would be prudent to change the title to "Characterization of Porous Solids and Powders: Surface Area, Porosity and Density". This book gives a unique overview of principles associated with the characterization of solids with regard to their surface area, pore size, pore volume and density. It covers methods based on gas adsorption (both physi and chemisorption), mercury porosimetry and pycnometry. Not only are the theoretical and experimental basics of these techniques presented in detail but also, in light of the tremendous progress made in recent years in materials science and nanotechnology, the most recent developments are described. In particular, the application of classical theories and methods for pore size analysis are contrasted with the most advanced microscopic theories based on statistical mechanics (e.g. Density Functional Theory and Molecular Simulation). The characterization of heterogeneous catalysts is more prominent than in earlier editions; the sections on mercury porosimetry and particularly chemisorption have been updated and greatly expanded.
Download or read book Clays in the Minerals Processing Value Chain written by Markus Gräfe and published by . This book was released on 2017 with total page 450 pages. Available in PDF, EPUB and Kindle. Book excerpt: Clays are increasingly becoming a major problem in the mining, extraction and value-adding processes for a wide range of commodity raw materials. Clays can impact negatively on virtually every unit process within the mining and minerals processing sector, having long-term environmental implications that go well beyond the lifetime of the mining operation. This book is the first to compile, explain and evaluate the effects of clays in the mineral processing value chain, from mining to minerals processing, and finally, tailings disposal. Focusing on topics from the chemistry and rheology of clays to their detection and dissolution behaviour, this book provides comprehensive coverage of the effects on processes such as settling, preg-robing, flotation and comminution. It is an excellent reference for professional mineralogists and geologists, industrial engineers, and researchers interested in clays and clay minerals.
Download or read book Natural Zeolites written by David L. Bish and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 668 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 45 of Reviews in Mineralogy and Geochemistry is a new and expanded update of Volume 4 from 1977. Most of the material in this volume is entirely new, and Natural Zeolites: Occurrence, Properties, Applications presents a fresh and expanded look at many of the subjects contained in Volume 4. There has been an explosion in our knowledge of the crystal chemistry and structures of natural zeolites (Chapters 1 and 2), due in part to the now-common Rietveld method that allows treatment of powder diffraction data. Studies on the geochemistry of natural zeolites have also greatly increased, partly as a result of the interests related to the disposal of radioactive wastes, and Chapters 3, 4, 5, 13, and 14 detail the latest results in this important area. Until the latter part of the 20th century, zeolites were often looked upon as a geological curiosity, but they are now known to be widespread throughout the world in sedimentary and igneous deposits and in soils (Chapters 6-12). The application of natural zeolites has greatly expanded since the first zeolite volume. Chapter 15 details the use of natural zeolites for removal of ammonium ions, heavy metals, radioactive cations, and organic molecules from natural waters, wastewaters, and soils. Similarly, Chapter 16 describes the use of natural zeolites as building blocks and cements in the building industry, Chapter 17 outlines their use in solar energy storage, heating, and cooling applications, and Chapter 18 describes their use in a variety of agricultural applications, including as soil conditioners, slow-release fertilizers, soil-less substrates, carriers for insecticides and pesticides, and remediation agents in contaminated soils.
