Download or read book Molecular Dynamics Simulations of Polymer Nanocomposites Containing Polyhedral Oligomeric Silsesquioxanes written by and published by . This book was released on 2004 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular dynamics simulations were carried out on traditional polymers copolymerized with POSS (Polyhedral Oligomeric Silsesquioxanes) derivatives to identify the reason behind improved properties imparted to the conventional polymers with the chemical incorporation of POSS. Two classes of systems are used in the present study, namely the polystyrene and polymethyl methacrylate systems. Seven systems are studied in the polystyrene class. The effect of corner substituent groups of the POSS cage on the properties of the polymer nanocomposites was studied using the polystyrene. In addition, the effect of the type of cage structure on the properties was studied using T8, T10 and T12 POSS cage structures containing phenyl substituents on each POSS cage. Systems with polymethyl methacrylate were studied to analyze the effect of mole percent of POSS on the polymer properties, holding the corner substituents on the POSS unit constant. The corner function used was the isobutyl group. The properties analyzed using simulations include glass transition temperature, volumetric thermal expansion coefficient, X-ray scattering data, solubility parameter and mechanical properties. In both polystyrene and polymethyl methacrylate systems, simulations were also carried out on the pure parent polymers for the sake of comparison. The effect of forcefield on the predicted properties was studied using both COMPASS and PCFF forcefields. Performance analysis of the code used in the present simulation was done by analyzing the parallel run time of simulations involving pure atactic polystyrene.
Download or read book Molecular Dynamics Simulations of Polymer Nanocomposites Containing Polyhedral Oligomeric Silsesquioxanes written by Reena R. Patel and published by . This book was released on 2004 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular dynamics simulations were carried out on traditional polymers copolymerized with POSS (Polyhedral Oligomeric Silsesquioxanes) derivatives to identify the reason behind improved properties imparted to the conventional polymers with the chemical incorporation of POSS. Two classes of systems are used in the present study, namely the polystyrene and polymethyl methacrylate systems. Seven systems are studied in the polystyrene class. The effect of corner substituent groups of the POSS cage on the properties of the polymer nanocomposites was studied using the polystyrene. In addition, the effect of the type of cage structure on the properties was studied using T8, T10 and T12 POSS cage structures containing phenyl substituents on each POSS cage. Systems with polymethyl methacrylate were studied to analyze the effect of mole percent of POSS on the polymer properties, holding the corner substituents on the POSS unit constant. The corner function used was the isobutyl group. The properties analyzed using simulations include glass transition temperature, volumetric thermal expansion coefficient, X-ray scattering data, solubility parameter and mechanical properties. In both polystyrene and polymethyl methacrylate systems, simulations were also carried out on the pure parent polymers for the sake of comparison. The effect of forcefield on the predicted properties was studied using both COMPASS and PCFF forcefields. Performance analysis of the code used in the present simulation was done by analyzing the parallel run time of simulations involving pure atactic polystyrene.
Download or read book Polyhedral Oligomeric Silsesquioxane POSS Polymer Nanocomposites written by Sabu Thomas and published by Elsevier. This book was released on 2021-03-25 with total page 578 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polyhedral Oligomeric Silsesquioxane (POSS) Polymer Nanocomposites: From Synthesis to Applications offers extensive coverage of polyhedral oligomeric silsesquioxanes and their nanocomposites, including their synthesis, characterization, interfacial interactions and advanced applications. Sections introduce essentials, information on their preparation and discussions on polymeric materials, including elastomers, thermoplastics, thermosetting polymers, polymer blends and IPNs. Further sections cover the latest analysis techniques, examine the properties of POSS-polymer nanocomposites, and discuss key application areas, such as biological, energy, defense, and space. Finally, issues surrounding industry implementation and lifecycle are explored. This is a valuable reference for researchers, scientists and advanced students in the areas of polymer composites and nanocomposites, polymer chemistry, polymer physics, polymer science, and materials science and engineering. In an industrial setting, this book will be of great interest to scientists, R&D professionals, and engineers across industries and disciplines. Covers all aspects of polyhedral oligomeric silsesquioxanes (POSS) and their nanocomposites, including synthesis and characterization techniques, properties, analysis, applications and trends Targets POSS nanocomposites, describing synthesis, characterization and the selection of POSS filler types according to polymeric material Explains the preparation and utilization of POSS polymer nanocomposites for cutting-edge applications, including biological, energy, and defense field applications
Download or read book Molecular Dynamics Simulation of Polyhedral Oligomeric Silsesquioxanes POSS and Their Polymeric Nanocomposites written by Jacob Kristian Earnshaw and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This note is part of Quality testing.
Download or read book Polymer Nanocomposites Containing Polyhedral Oligomeric Silsesquioxane POSS Molecules written by Xuan Fu and published by . This book was released on 2002 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Polymer POSS Nanocomposites and Hybrid Materials written by Susheel Kalia and published by Springer. This book was released on 2018-11-27 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an overview of polymer nanocomposites and hybrid materials with polyhedral oligomeric silsesquioxanes (POSS). Among inorganic nanoparticles, functionalized POSS are unique nano-building blocks that can be used to create a wide variety of hybrid and composite materials, where precise control of nanostructures and properties is required. This book describes the influence of incorporation of POSS moieties into (organic) polymer matrices on the mechanical, thermal and flammability behavior of composites and hybrid organic-inorganic materials. Importantly, POSS-containing materials can be bio-functionalized by linking e.g. peptides and growth factors through appropriate surface modification in order to enhance the haemo-compatibility of cardiovascular devices made of these materials. This volume includes descriptions of synthesis routes of POSS and POSS-containing polymeric materials (e.g. based on polyolefines, epoxy resins and polyurethanes), presentation of POSS’ role as flame retardants and as biocompatible linker, as well as the depiction of decomposition and ageing processes.
Download or read book Molecular Dynamics Simulations of Polyhedral Oligomeric Silsesquioxanes written by Tudor Constantin Ionescu and published by . This book was released on 2004 with total page 152 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Understanding Mechanical Properties of Polymer Nanocomposites with Molecular Dynamics Simulations written by Suchira Sen and published by . This book was released on 2005 with total page 126 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theory and Modeling of Polymer Nanocomposites written by Valeriy V. Ginzburg and published by Springer Nature. This book was released on 2020-12-16 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: This edited volume brings together the state of the art in polymer nanocomposite theory and modeling, creating a roadmap for scientists and engineers seeking to design new advanced materials. The book opens with a review of molecular and mesoscale models predicting equilibrium and non-equilibrium nanoscale structure of hybrid materials as a function of composition and, especially, filler types. Subsequent chapters cover the methods and analyses used for describing the dynamics of nanocomposites and their mechanical and physical properties. Dedicated chapters present best practices for predicting materials properties of practical interest, including thermal and electrical conductivity, optical properties, barrier properties, and flammability. Each chapter is written by leading academic and industrial scientists working in each respective sub-field. The overview of modeling methodology combined with detailed examples of property predictions for specific systems will make this book useful for academic and industrial practitioners alike.
Download or read book Siloxane Based Polymers written by Ignazio Blanco and published by MDPI. This book was released on 2019-07-11 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book, a collection of 12 original contributions and 4 reviews, provides a selection of the most recent advances in the preparation, characterization, and applications of polymeric nanocomposites comprising nanoparticles. The concept of nanoparticle-reinforced polymers came about three decades ago, following the outstanding discovery of fullerenes and carbon nanotubes. One of the main ideas behind this approach is to improve the matrix mechanical performance. The nanoparticles exhibit higher specific surface area, surface energy, and density compared to microparticles and, hence, lower nanofiller concentrations are needed to attain properties comparable to, or even better than, those obtained by conventional microfiller loadings, which facilitates processing and minimizes the increase in composite weight. The addition of nanoparticles into different polymer matrices opens up an important research area in the field of composite materials. Moreover, many different types of inorganic nanoparticles, such as quantum dots, metal oxides, and ceramic and metallic nanoparticles, have been incorporated into polymers for their application in a wide range of fields, ranging from medicine to photovoltaics, packaging, and structural applications.
Download or read book POSS Based Polymers written by Ignazio Blanco and published by MDPI. This book was released on 2019-12-19 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: The combination of functional polymers with inorganic nanostructured compounds has become a major area of research and technological development owing to the remarkable properties and multifunctionalities deriving from their nano and hybrid structures. In this context, polyhedral oligomeric silsesquioxanes (POSSs) have increasing importance and a dominant position with respect to the reinforcement of polymeric materials. Although POSSs were first described in 1946 by Scott, these materials, however, have not immediately been successful if we consider that, starting from 1946 and up to 1995, we find in the literature 85 manuscripts regarding POSSs; which means that less than two papers per year were published over 50 years. Since 1995, we observe an exponential growth of scientific manuscripts concerning POSSs. It is changing from an annual average of 20 manuscripts for the period 1995–2000 to an annual average of about 400 manuscripts, with an increase of 2800%. The introduction of POSSs inorganic nanostructures into polymers gives rise to polymer nanostructured materials (PNMs) with interesting mechanical and physical properties, thus representing a radical alternative to the traditional filled polymers or polymer compositions.
Download or read book Polyurethane Polymers Composites and Nanocomposites written by Sabu Thomas and published by Elsevier. This book was released on 2017-08-17 with total page 635 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polyurethane Polymers: Composites and Nanocomposites concentrates on the composites and nanocomposites of polyurethane based materials. Polyurethane composites are a very important class of materials widely used in the biomedical and industrial field that offer numerous potential applications in many areas. This book discusses current research and identifies future research needs in the area. Provides an elaborate coverage of the chemistry of polyurethane, its synthesis, and properties Includes available characterization techniques Relates types of polyurethanes to their potential properties Discusses composites, nanocomposites options, and PU recycling
Download or read book Mechanics of Particle and Fiber Reinforced Polymer Nanocomposites written by Sumit Sharma and published by John Wiley & Sons. This book was released on 2021-03-09 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: Learn to model your own problems for predicting the properties of polymer-based composites Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites: Nanoscale to Continuum Simulations provides readers with a thorough and up-to-date overview of nano, micro, and continuum approaches for the multiscale modeling of polymer-based composites. Covering nanocomposite development, theoretical models, and common simulation methods, the text includes a variety of case studies and scripting tutorials that enable readers to apply and further develop the supplied simulations. The book describes the foundations of molecular dynamics and continuum mechanics methods, guides readers through the basic steps required for multiscale modeling of any material, and correlates the results between the experimental and theoretical work performed. Focused primarily on nanocomposites, the methods covered in the book are applicable to various other materials such as carbon nanotubes, polymers, metals, and ceramics. Throughout the book, readers are introduced to key topics of relevance to nanocomposite materials and structures—supported by journal articles that discuss recent developments in modeling techniques and in the prediction of mechanical and thermal properties. This timely, highly practical resource: Explains the molecular dynamics (MD) simulation procedure for nanofiber and nanoparticle reinforced polymer composites Compares results of experimental and theoretical results from mechanical models at different length scales Covers different types of fibers and matrix materials that constitute composite materials, including glass, boron, carbon, and Kevlar Reviews models that predict the stiffness of short-fiber composites, including the self-consistent model for finite-length fibers, bounding models, and the Halpin-Tsai equation Describes various molecular modeling methods such as Monte Carlo, Brownian dynamics, dissipative particle dynamics, and lattice Boltzmann methods Highlights the potential of nanocomposites for defense and space applications Perfect for materials scientists, materials engineers, polymer scientists, and mechanical engineers, Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites is also a must-have reference for computer simulation scientists seeking to improve their understanding of reinforced polymer nanocomposites.
Download or read book Structure property Relationships of Polymer based Nanocomposites with Polyhedral Oligomeric Silsesquioxanes as Nanofilters written by and published by . This book was released on 2007 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Flame Retardant Polymer Nanocomposites written by Alexander B. Morgan and published by John Wiley & Sons. This book was released on 2007-04-13 with total page 449 pages. Available in PDF, EPUB and Kindle. Book excerpt: Flame Retardant Polymer Nanocomposites takes a comprehensive look at polymer nanocomposites for flame retardancy applications and includes nanocomposite fundamentals (theory, design, synthesis, characterization) as well as polymer flammability fundamentals with emphasis on how nanocomposites affect flammability. The book has practical examples from literature, patents, and existing commercial products. Readers can design new work based upon the material in the book or use it as a handy reference for interpreting existing work and results.
Download or read book Structure Property Relationships of Polymer Based Nanocomposites with Polyhedral Oligomeric Silsesquioxanes as Nanofillers written by Ning Hao and published by . This book was released on 2007 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Atomistic Simulations of CpPOSS PE Nanocomposites written by Franco Mario Capaldi and published by . This book was released on 2005 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: (Cont.) The POSS was found to aggregate into small necklace structures which have internal ordering similar to the crystal phase. The formation of crystallites was found to be energetically favorable in this system. A coarse grained potential which accounts for both the attraction and orientation between particles was developed to aid the further study of aggregation and crystallization in these composites. The interface between the POSS and the polymer is found to consist of polymer chains aligned tangentially to the POSS cage. This layer has increased mobility tangential to the surface of the particle and decreased mobility in the radial direction. Though it is very thin, consisting of only 1 or 2 monolayers of polymer, due to the small size of the POSS particle, the weight fraction of polymer in the interfacial region is as high as 43 % in the 25 weight percent CpPOSS/PE composite. These simulations reveal the formation of structure on both the angstrom length scale in the polymer near the interface and the mesoscopic length scale between the POSS particles.
