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Hydrolysis And Aqueous Corrosion Of Silicate And Aluminosilicate Glasses Via Ab Initio Molecular Dynamics Simulation
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Book Synopsis Hydrolysis and Aqueous Corrosion of Silicate and Aluminosilicate Glasses Via Ab Initio Molecular Dynamics Simulation by : Khagendra Baral
Download or read book Hydrolysis and Aqueous Corrosion of Silicate and Aluminosilicate Glasses Via Ab Initio Molecular Dynamics Simulation written by Khagendra Baral and published by . This book was released on 2021 with total page 174 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrolysis and aqueous corrosion of glass is a complex and puzzling phenomenon. Although many endeavors have been made to investigate corrosion in glass, it is still an open question with many unanswered fundamental issues. To explore the hydrolysis mechanism in glasses and provide new insights into their corrosion, single and mixed alkali ions doped silicate and aluminosilicate bulk glasses are simulated using ab initio molecular dynamics (AIMD). The atomic origin of the hydrolysis reaction is analyzed, and its effects on the structural, electronic, mechanical, and optical properties of the studied glasses are explored. A complete picture of interatomic bonding and charge transfer in the hydrated models is depicted and compared with dry models. A novel quantum mechanical parameter, total bond order (TBO), is introduced to characterize the internal cohesion and strength of the simulated glasses. Water in glass remains as molecular water H2O and dissociated water OH. The ionized water attacks the silicate and aluminosilicate framework and depolymerizes it, producing Si-OH and Al-OH. The small amount of water in silicate glass enhances its mechanical strength while excess water deteriorates it. The aqueous corrosion on a surface is investigated, further simulating the glass-water interface models of aluminosilicate glasses using AIMD. The local short- and intermediate-range order properties embedded in pair distribution function, coordination number, bond-angle, and bond-length distribution are analyzed in detail to delineate subtle variation caused due to hydrolysis. The calculated interatomic bonding and charge transfer are compared and contrasted in the bulk, surface, and interface models. The TBO is used to analyze the effect of hydrolysis on the internal cohesion of studied glasses. Furthermore, the aqueous corrosion effects of Na/K-Cl salts on aluminosilicate glass surfaces are explored. The hydrolysis increases with the increasing concentration of salts, and KCl is more detrimental to the glass network than NaCl. The results presented here provide new insight to understand the aqueous corrosion of glass surfaces and help design mechanically strong and durable glasses.
Book Synopsis Atomistic Simulations of Glasses by : Jincheng Du
Download or read book Atomistic Simulations of Glasses written by Jincheng Du and published by John Wiley & Sons. This book was released on 2022-03-29 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: A complete reference to computer simulations of inorganic glass materials In Atomistic Simulations of Glasses: Fundamentals and Applications, a team of distinguished researchers and active practitioners delivers a comprehensive review of the fundamentals and practical applications of atomistic simulations of inorganic glasses. The book offers concise discussions of classical, first principles, Monte Carlo, and other simulation methods, together with structural analysis techniques and property calculation methods for the models of glass generated from these atomistic simulations, before moving on to practical examples of the application of atomistic simulations in the research of several glass systems. The authors describe simulations of silica, silicate, aluminosilicate, borosilicate, phosphate, halide and oxyhalide glasses with up-to-date information and explore the challenges faced by researchers when dealing with these systems. Both classical and ab initio methods are examined and comparison with experimental structural and property data provided. Simulations of glass surfaces and surface-water reactions are also covered. Atomistic Simulations of Glasses includes multiple case studies and addresses a variety of applications of simulation, from elucidating the structure and properties of glasses for optical, electronic, architecture applications to high technology fields such as flat panel displays, nuclear waste disposal, and biomedicine. The book also includes: A thorough introduction to the fundamentals of atomistic simulations, including classical, ab initio, Reverse Monte Carlo simulation and topological constraint theory methods Important ingredients for simulations such as interatomic potential development, structural analysis methods, and property calculations are covered Comprehensive explorations of the applications of atomistic simulations in glass research, including the history of atomistic simulations of glasses Practical discussions of rare earth and transition metal-containing glasses, as well as halide and oxyhalide glasses In-depth examinations of glass surfaces and silicate glass-water interactions Perfect for glass, ceramic, and materials scientists and engineers, as well as physical, inorganic, and computational chemists, Atomistic Simulations of Glasses: Fundamentals and Applications is also an ideal resource for condensed matter and solid-state physicists, mechanical and civil engineers, and those working with bioactive glasses. Graduate students, postdocs, senior undergraduate students, and others who intend to enter the field of simulations of glasses would also find the book highly valuable.
Book Synopsis Predicting the Young's Modulus of Silicate Glasses by Molecular Dynamics Simulations and Machine Learning by : Kai Yang
Download or read book Predicting the Young's Modulus of Silicate Glasses by Molecular Dynamics Simulations and Machine Learning written by Kai Yang and published by . This book was released on 2020 with total page 85 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the compositional dependence of properties of silicate glass is critical to design novel glasses for various technology applications. With the development in molecular dynamics simulations and machine learning techniques, a combined and fully computational approach, which is able to reveal the relationship between glass composition and its mechanical properties, can be developed and served as a guide prior to experiments and manufacturing. On one hand, machine learning is a powerful tool to predict the properties based on the existing database. On the other hand, molecular dynamics simulation cannot only produce sufficient data points for machine learning models but also provide a detailed picture of the atomic structure of glasses. This atomic-scale knowledge from molecular dynamics simulation contains an intrinsic relationship between glass compositions and their mechanical properties. Here, we first use molecular dynamics simulation to generate the dataset for calcium aluminosilicate glasses and apply different machine learning models to predict their Young's modulus using glass compositions in Chapter 1. Next, we apply topological constraint theory to quantify the atomic structures of simulated glasses and use this knowledge to predict Young's modulus for calcium aluminosilicate glass family in Chapter 2. Last, in Chapter 3, we propose a fully analytical model to link the network topology with glass compositions.
Book Synopsis Reactions and Interfacial Behaviors of the Water-Amorphous Silica System from Classical and Ab Initio Molecular Dynamics Simulations by : Jessica M. Rimsza
Download or read book Reactions and Interfacial Behaviors of the Water-Amorphous Silica System from Classical and Ab Initio Molecular Dynamics Simulations written by Jessica M. Rimsza and published by . This book was released on 2016 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt: Due to the wide application of silica based systems ranging from microelectronics to nuclear waste disposal, detailed knowledge of water-silica interactions plays an important role in understanding fundamental processes, such as glass corrosion and the long term reliability of devices. In this dissertation, atomistic computer simulation methods have been used to explore and identify the mechanisms of water-silica reactions and the detailed processes that control the properties of the water-silica interfaces due to their ability to provide atomic level details of the structure and reaction pathways. The main challenges of the amorphous nature of the silica based systems and nano-porosity of the structures were overcome by a combination of simulation methodologies based on classical molecular dynamics (MD) simulations with Reactive Force Field (ReaxFF) and density functional theory (DFT) based ab initio MD simulations. Through the development of nanoporous amorphous silica structure models, the interactions between water and the complex unhydroxylated internal surfaces identified the unusual stability of strained siloxane bonds in high energy ring structure defects, as well as the hydroxylation reaction kinetics, which suggests the difficulty in using DFT methods to simulate Si-O bond breakage with reasonable efficiency. Another important problem addressed is the development of silica gel structures and their interfaces, which is considered to control the long term residual dissolution rate in borosilicate glasses. Through application of the ReaxFF classical MD potential, silica gel structures which mimic the development of interfacial layers during silica dissolution were created A structural model, consisting of dense silica, silica gel, and bulk water, and the related interfaces was generated, to represent the dissolution gel structure. High temperature evolution of the silica-gel-water (SGW) structure was performed through classical MD simulation of the system, and growth of the gel into the water region occurred, as well as the formation of intermediate range structural features of dense silica. Additionally, hydroxylated silica monomers (SiO4H4) and longer polymerized silica chains were formed in the water region, indicating that glass dissolution is occurring, even at short time frames. The creation of the SGW model provides a framework for a method of identifying how interfacial structures which develop at glass-water interfaces can be incorporated into atomistic models for additional analysis of the dissolution of silicates in water.
Book Synopsis Molecular Dynamics Simulation of Silicate Glasses and Their Surfaces by : Xianglong Yuan
Download or read book Molecular Dynamics Simulation of Silicate Glasses and Their Surfaces written by Xianglong Yuan and published by . This book was released on 2000 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Atomistic-simulations of Silicate Glasses by : Seung Ho Hahn
Download or read book Atomistic-simulations of Silicate Glasses written by Seung Ho Hahn and published by . This book was released on 2020 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Silicate-based glasses are one of the most versatile materials in terms of technological perspective with a wide range of industrial applications. In most cases, glass products are exposed to various aqueous environments (either humid air or liquid water) and subject to physical contact with foreign objects, which leads to deterioration of chemical and mechanical properties of glass surfaces. Therefore, understanding their interactions with adsorbed interfacial water molecules is critical as it can provide physical insights needed for rational design of more durable glasses. Experimental characterization approaches have been applied to tackle difficult problems associated with the complex nature of glass surfaces but they are often limited by the time-scale resolution. As a result, they have failed to offer important structural characteristics and chemical reaction mechanisms under dynamic processes happening at the glass surface. To complement the challenges that experimental endeavors are encountering, this dissertation aims to provide a comprehensive understanding of water interactions of silicate glass surfaces using atomistic-scale simulations techniques. In particular, ReaxFF reactive force field-based molecular dynamics (MD) simulations are employed to study two distinct surface phenomena, i) surface water reaction and ii) surface mechanochemical wear process. These studies represent the surface damage process of silicate glass in the absence and presence of mechanical actions, respectively. The first part of this dissertation describes the water interactions of a silicate glass with readily leachable alkali (sodium) ions. In this study, highly complex surface chemistry, including proton/water exchange with the sodium ions, formation of relatively long-living sodium-hydroxide ionic complexes at the glass surface and eventual dissolution of those ion pairs into the water phase are described. Also, surface mapping of water binding energy to the glass surface is evaluated at different stages of the glass-water reaction, which would be relevant to assess the chemical durability of the glass materials based on the glass network topology. After the transport behavior and glass-water reaction mechanism at the surface has been identified, the mechanochemical wear process of sodium silicate glass rubbed with amorphous silica in the absence and presence of interfacial water molecules is covered in the second part of this dissertation. The effect of water molecules on the shear-induced chemical reaction at the sliding interface was investigated and the dependence of wear on the number of interfacial water molecules in ReaxFF-MD simulations was found to be qualitatively in reasonable agreement with the experimental data. The large-scale atomistic simulation approaches with ReaxFF reactive force field presented in this dissertation alleviates the limitations of DFT calculations and experiments, providing new and meaningful insights on the chemical dynamics associated within the glass-water interface.
Book Synopsis Surface Analysis of Silicate Glass in Understanding Mechanochemical Wear Process, Corrosion Behavior and Vibrational Properties by : Hongshen Liu
Download or read book Surface Analysis of Silicate Glass in Understanding Mechanochemical Wear Process, Corrosion Behavior and Vibrational Properties written by Hongshen Liu and published by . This book was released on 2021 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Surface properties govern numerous performances of silicate glass, such as mechanical strength, chemical durability and optical properties. Soda lime silicate (SLS) is the key commodity glass material applied for architecture and decoration, automotive windshields, photovoltaic cover panels and so on. In these applications, glass surface defects made by physical contacts of foreign objects seriously compromise the practical strength or durability of glass products. Therefore, it is of significant importance to investigate the surface damage modes to prevent the defects formation and propagation, as well as develop comprehensive understanding of surface properties of silicate glass to optimize its practical performance. Surface damage induced by foreign contact can be generally investigated by two categories, by normal indentation and by tangential shear. Recently, it has been reported a peculiar humidity-dependent surface wear process of SLS glass induced by tangential shear. Specifically, soda lime silicate glass exhibited superior resistance to wear at high humidity in shear-induced tribological test. To enhance mechanical properties, SLS glass panels are often thermally tempered or chemically strengthened. The mechanical properties are improved by compressive stress formation on the glass surface during such processes. However, it was showed that the mechanically strengthened SLS glass demonstrated deteriorated resistance against mechanochemical wear in tribo-test performed at high humidity. To better understand the stress effect on mechanochemical wear behavior without introducing alteration of surface chemistry, stress was created by external force on soda lime silicate glass surface in this dissertation. Flexural bending was applied to generate tensile stress and compressive stress on SLS glass surface to understand their effect on mechanochemical wear behavior and other surface properties. It was found that compressive stress on the surface impaired the wear resistance behavior of SLS glass at high humidity while tensile stress did not alter the superior resistance to wear. In mechanical response, SLS glass formed with compressive stress was more susceptible to plastic deformation upon normal indentation while SLS with tensile stress stayed unaltered compared to stress-free SLS. Such increased tendency towards plastic deformation and mechanochemical wear at high humidity were proposed to be associated with greater Si-O bond strain in the silicate network induced by compressive stress. Moreover, the wear resistance behavior at high humidity of silicate glass is related with compositions of glass network. Previous work showed that such resistance to wear at high humidity was uniquely observed for soda lime silicate glass among many types of silicate glasses tested. In this dissertation, investigation was carried out to understand the composition effect, specifically effect of modifier contents in sodium calcium aluminosilicate (NCAS) glass series, on mechanochemical wear behavior. A series of sodium calcium aluminosilicate glass with various CaO to Na2O ratio were applied for this study. It was observed that the silicate glass comprising both sodium and calcium ions with sufficient content exhibited resistance to mechanochemical wear at high humidity. For silicate glass that has only sodium ion or calcium ion, the resistance to wear at high humidity was not observed. The result indicated that wear resistance behavior at high humidity was affected by mixed modifiers effect (MME) in silicate glass. Further, vibrational properties revealed by IR spectroscopy also demonstrated MME on the aspect of frequency of Si-O-Si stretching vibrational band. Upon aqueous corrosion, it was found that the resistance to aqueous corrosion was improved with increased calcium content in the glass system. The chemical durability of NCAS glass was investigated by both surface structure alteration and leached layer thickness, probed by IR spectroscopy and x-ray photoelectron spectroscopy (XPS), respectively. Intrinsically, mechanochemical wear process induced by tangential shear was related to chemical reaction between Si-O-Si bond in silicate network and hydrous species in ambient environment. It is important to investigate the dynamic interaction between silicate glass and hydrous species to contribute to the understanding of this complicated process. Mixed alkaline earth effect (MAEE) on chemical durability was investigated by a series of borosilicate glass with varied CaO to MgO ratio in the glass system. Borosilicate glasses comprising a variety of modifiers were widely used for pharmaceutical application. The understanding of dependence of chemical durability on mixed modifiers is vital to ensure safety usage in medicine storage and distribution. In this dissertation, a weak MAEE on chemical durability of borosilicate glass was demonstrated in terms of the thickness of the dissolution layer as well as the re-organization of surface structure. Moreover, chemical durability of silicate glass has a particularly crucial application on long-term storage of radioactive waste glass. In this dissertation, the initial surface state effect on aqueous corrosion was investigated by international simple glass (ISG), a boroaluminosilicate glass. The ISG was prepared separately as polished-only and polished-then-annealed before corrosion treatment. Only slight difference in surface elements was found of ISG prepared in two different approaches. However, such small difference led to large impacts on corrosion behavior under the mild corrosion condition, on silicate structure, hydrous species, surface elements and surface roughness. The effect was found less significant under the accelerated harsh corrosion condition. Moreover, the structural properties of silicate glass were commonly acquired by vibrational spectroscopies, such as infrared and Raman spectroscopies. A plethora of papers reporting variations in IR and Raman spectral features of silicate glass upon changes of glass compositions, thermal histories, mechanical stresses, and other surface treatments. However, the interpretations of such spectral features were often not clear and the fundamental physical principles in describing vibrational modes of amorphous glass networks were not well-established. In this dissertation, we demonstrated the investigation of vibrational features in correlation with structural parameters of sodium silicate glass with employing molecular dynamics (MD) simulation. One of the main findings was that the weighted average of position of asymmetric Si-O-Si stretch vibration in IR spectra is better correlated with averaged Si-O bond length in the glass network, rather than the bond angle of Si-O-Si, as sodium content varied in the silicate glass. Our study also raised concerns of previous vibrational assignments in relating the Si-O-Si stretching band with the Qn speciation and relating Si-O-Si bending band with (SiO)n rings of silicate glass in Raman spectra. The limitation of previous vibrational calculation was discussed and the new critical insights from the modern studies were described in correlating vibrational spectral features with structural parameters of silicate glass. Further, a systematic review of vibrational spectroscopies was performed of silica and silicate glass on the aspect of historic origins of currently widely-used spectral interpretation models, insights and limitations of those theoretical calculations and established models, and recent advances with computational approaches in understanding of vibrational spectral features of disordered networks.
Book Synopsis Molecular Dynamics Simulation of the Structure of Silicate Glasses Containing Hydroxyl Groups and Rare Earth Ions by : Jincheng Du
Download or read book Molecular Dynamics Simulation of the Structure of Silicate Glasses Containing Hydroxyl Groups and Rare Earth Ions written by Jincheng Du and published by . This book was released on 2004 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Structure Methods for Complex Materials by : Wai-Yim Ching
Download or read book Electronic Structure Methods for Complex Materials written by Wai-Yim Ching and published by OUP Oxford. This book was released on 2012-05-17 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.
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.
Book Synopsis The Chemical Bond in Inorganic Chemistry by : Ian David Brown
Download or read book The Chemical Bond in Inorganic Chemistry written by Ian David Brown and published by . This book was released on 2002 with total page 289 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the bond valence model, a description of acid-base bonding which is becoming increasingly popular particularly in fields such as materials science and mineralogy where solid state inorganic chemistry is important. Recent improvements in crystal structure determination have allowed the model to become more quantitative. Unlike other models of inorganic chemical bonding, the bond valence model is simple, intuitive, and predictive, and can be used for analysing crystal structures and the conceptual modelling of local as well as extended structures. This is the first book to explore in depth the theoretical basis of the model and to show how it can be applied to synthetic and solution chemistry. It emphasizes the separate roles of the constraints of chemistry and of three-dimensional space by analysing the chemistry of solids. Many applications of the model in physics, materials science, chemistry, mineralogy, soil science, surface science, and molecular biology are reviewed. The final chapter describes how the bond valence model relates to and represents a simplification of other models of inorganic chemical bonding.
Book Synopsis Springer Handbook of Glass by : J. David Musgraves
Download or read book Springer Handbook of Glass written by J. David Musgraves and published by Springer. This book was released on 2019-08-14 with total page 1590 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook provides comprehensive treatment of the current state of glass science from the leading experts in the field. Opening with an enlightening contribution on the history of glass, the volume is then divided into eight parts. The first part covers fundamental properties, from the current understanding of the thermodynamics of the amorphous state, kinetics, and linear and nonlinear optical properties through colors, photosensitivity, and chemical durability. The second part provides dedicated chapters on each individual glass type, covering traditional systems like silicates and other oxide systems, as well as novel hybrid amorphous materials and spin glasses. The third part features detailed descriptions of modern characterization techniques for understanding this complex state of matter. The fourth part covers modeling, from first-principles calculations through molecular dynamics simulations, and statistical modeling. The fifth part presents a range of laboratory and industrial glass processing methods. The remaining parts cover a wide and representative range of applications areas from optics and photonics through environment, energy, architecture, and sensing. Written by the leading international experts in the field, the Springer Handbook of Glass represents an invaluable resource for graduate students through academic and industry researchers working in photonics, optoelectronics, materials science, energy, architecture, and more.
Book Synopsis Finnie's Notes on Fracture Mechanics by : C. K. H. Dharan
Download or read book Finnie's Notes on Fracture Mechanics written by C. K. H. Dharan and published by Springer. This book was released on 2016-10-14 with total page 259 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook consists primarily of notes by Iain Finnie who taught a popular course on fracture mechanics at the University of California at Berkeley. It presents a comprehensive and detailed exposition of fracture, the fundamentals of fracture mechanics and procedures for the safe design of engineering components made from metal alloys, brittle materials like glasses and ceramics, and composites. Interesting and practical problems are listed at the end of most chapters to give the student practice in applying the theory. A solutions manual is provided to the instructor. The text presents a unified perspective of fracture with a strong fundamental foundation and practical applications. In addition to its role as a text, this reference would be invaluable for the practicing engineer who is involved in the design and evaluation of components that are fracture critical. This book also: Presents details of derivations of the basic equations of fracture mechanics and the historical context of the development of fracture theory and methodology Treats linear and nonlinear fracture mechanics methodologies beginning with a review of the basic equations of solid mechanics followed by solutions useful in fracture prediction Illustrates the basis of linear elastic fracture mechanics (LEFM), practical applications of LEFM in the design of fracture-tolerant structural components Offers interesting, practical, classroom proven problems at the end of most chapters Includes instructor's solutions manual
Book Synopsis Chemical Weathering Rates of Silicate Minerals by : Arthur F. White
Download or read book Chemical Weathering Rates of Silicate Minerals written by Arthur F. White and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 31 of Reviews in Mineralogy reviews current thinking on the fundamental processes that control chemical weathering of silicates, including the physical chemistry of reactions at mineral surfaces, the role of experimental design in isolating and quantifying these reactions, and the complex roles that water chemistry, hydrology, biology, and climate play in weathering of natural systems. The chapters in this volume are arranged to parallel this order of development from theoretical considerations to experimental studies to characterization of natural systems. Secondly, the book is meant to serve as a reference from which researchers can readily retrieve quantitative weathering rate data for specific minerals under detailed experimental controls or for natural weathering conditions. Toward this objective, the authors were encouraged to tabulate available weathering rate data for their specific topics. Finally this volume serves as a forum in which suggestions and speculations concerning the direction of future weathering research are discussed.
Book Synopsis Corrosion of Glass, Ceramics and Ceramic Superconductors by : David E. Clark
Download or read book Corrosion of Glass, Ceramics and Ceramic Superconductors written by David E. Clark and published by William Andrew. This book was released on 1992-12-31 with total page 712 pages. Available in PDF, EPUB and Kindle. Book excerpt: A state-of-the-art treatment of glass and ceramic corrosion, this book presents fundamental chemical reactions, equations, computer codes and models, and practical examples by 33 leaders in the field.
Book Synopsis NASA Glenn Coefficients for Calculating Thermodynamic Properties of Individual Species by : Bonnie J. McBride
Download or read book NASA Glenn Coefficients for Calculating Thermodynamic Properties of Individual Species written by Bonnie J. McBride and published by . This book was released on 2002 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Clay-Polymer Nanocomposites by : Khouloud Jlassi
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
