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Computational Methods For Polymers
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Book Synopsis Computational Methods for Polymers by : Masoud Soroush
Download or read book Computational Methods for Polymers written by Masoud Soroush and published by MDPI. This book was released on 2020-12-10 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents recent advances in computational methods for polymers. It covers multiscale modeling of polymers, polymerization reactions, and polymerization processes as well as control, monitoring, and estimation methods applied to polymerization processes. It presents theoretical insights gained from multiscale modeling validated with exprimental measurements. The book consolidates new computational tools and methods developed by academic researchers in this area and presents them systematically. The book is useful for graduate students, researchers, and process engineers and managers.
Book Synopsis Computer Simulations of Liquid Crystals and Polymers by : Paolo Pasini
Download or read book Computer Simulations of Liquid Crystals and Polymers written by Paolo Pasini and published by Springer Science & Business Media. This book was released on 2005-08-11 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Liquid crystals, polymers and polymer liquid crystals are soft condensed matter systems of major technological and scientific interest. An understanding of the macroscopic properties of these complex systems and of their many and interesting peculiarities at the molecular level can nowadays only be attained using computer simulations and statistical mechanical theories. Both in the Liquid Crystal and Polymer fields a considerable amount of simulation work has been done in the last few years with various classes of models at different special resolutions, ranging from atomistic to molecular and coarse-grained lattice models. Each of the two fields has developed its own set of tools and specialized procedures and the book aims to provide a state of the art review of the computer simulation studies of polymers and liquid crystals. This is of great importance in view of a potential cross-fertilization between these connected areas which is particularly apparent for a number of experimental systems like, e.g. polymer liquid crystals and anisotropic gels where the different fields necessarily merge. An effort has been made to assess the possibilities of a coherent description of the themes that have developed independently, and to compare and extend the theoretical and computational techniques put forward in the different areas.
Book Synopsis Simulation Methods for Polymers by : Michael Kotelyanskii
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:
Book Synopsis Mechanics of Solid Polymers by : Jorgen S Bergstrom
Download or read book Mechanics of Solid Polymers written by Jorgen S Bergstrom and published by William Andrew. This book was released on 2015-07-11 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: Very few polymer mechanics problems are solved with only pen and paper today, and virtually all academic research and industrial work relies heavily on finite element simulations and specialized computer software. Introducing and demonstrating the utility of computational tools and simulations, Mechanics of Solid Polymers provides a modern view of how solid polymers behave, how they can be experimentally characterized, and how to predict their behavior in different load environments. Reflecting the significant progress made in the understanding of polymer behaviour over the last two decades, this book will discuss recent developments and compare them to classical theories. The book shows how best to make use of commercially available finite element software to solve polymer mechanics problems, introducing readers to the current state of the art in predicting failure using a combination of experiment and computational techniques. Case studies and example Matlab code are also included. As industry and academia are increasingly reliant on advanced computational mechanics software to implement sophisticated constitutive models – and authoritative information is hard to find in one place - this book provides engineers with what they need to know to make best use of the technology available. - Helps professionals deploy the latest experimental polymer testing methods to assess suitability for applications - Discusses material models for different polymer types - Shows how to best make use of available finite element software to model polymer behaviour, and includes case studies and example code to help engineers and researchers apply it to their work
Book Synopsis Computational Modeling of Polymer Composites by : Samit Roy
Download or read book Computational Modeling of Polymer Composites written by Samit Roy and published by CRC Press. This book was released on 2013-09-05 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a better understanding of the theories associated with finite element models of elastic and viscoelastic response of polymers and polymer composites. It covers computational modeling and life-prediction of polymers and polymeric composites in aggressive environments. It begins with a review of mathematical preliminaries, equations of anisotropic elasticity, and then presents finite element analysis of viscoelasticity and the diffusion process in polymers and polymeric composites. The book provides a reference for engineers and scientists and can be used as a textbook in graduate courses.
Book Synopsis Computer Simulation of Polymeric Materials by : Japan Association for Chemical Innovation
Download or read book Computer Simulation of Polymeric Materials written by Japan Association for Chemical Innovation and published by Springer. This book was released on 2016-07-30 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is the first to introduce a mesoscale polymer simulation system called OCTA. With its name derived from "Open Computational Tool for Advanced material technology," OCTA is a unique software product, available without charge, that was developed in a project funded by Japanese government. OCTA contains a series of simulation programs focused on mesoscale simulation of the soft matter COGNAC, SUSHI, PASTA, NAPLES, MUFFIN, and KAPSEL. When mesoscale polymer simulation is performed, one may encounter many difficulties that this book will help to overcome. The book not only introduces the theoretical background and functions of each simulation engine, it also provides many examples of the practical applications of the OCTA system. Those examples include predicting mechanical properties of plastic and rubber, morphology formation of polymer blends and composites, the micelle structure of surfactants, and optical properties of polymer films. This volume is strongly recommended as a valuable resource for both academic and industrial researchers who work in polymer simulation.
Book Synopsis Computational Quantum Chemistry by : Masoud Soroush
Download or read book Computational Quantum Chemistry written by Masoud Soroush and published by Elsevier. This book was released on 2018-10-16 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Quantum Chemistry: Insights into Polymerization Reactions consolidates extensive research results, couples them with computational quantum chemistry (CQC) methods applicable to polymerization reactions, and presents those results systematically. CQC has advanced polymer reaction engineering considerably for the past two decades. The book puts these advances into perspective. It also allows you to access the most up-to-date research and CQC methods applicable to polymerization reactions in a single volume. The content is rigorous yet accessible to graduate students as well as researchers who need a reference of state-of-the-art CQC methods with polymerization applications. - Consolidates more than 10 years of theoretical polymerization reaction research currently scattered across journal articles - Accessibly presents CQC methods applicable to polymerization reactions - Provides researchers with a one-stop source of the latest theoretical developments in polymer reaction engineering
Book Synopsis Simulation Methods for Polymers by : Michael Kotelyanskii
Download or read book Simulation Methods for Polymers written by Michael Kotelyanskii and published by CRC Press. This book was released on 2004-03-15 with total page 900 pages. Available in PDF, EPUB and Kindle. Book excerpt: Synthetic Lubricants and High-Performance Functional Fluids, Second Edition offers state-of-the-art information on all the major synthetic fluids, describing established products as well as highly promising experimental fluids with commercial potential. This second edition contains chapters on polyinternalolefins, polymer esters, refrigeration lube
Book Synopsis Computational Materials Science by : Kaoru Ohno
Download or read book Computational Materials Science written by Kaoru Ohno and published by Springer Science & Business Media. This book was released on 1999-08-18 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: Powerful computers now enable scientists to model the physical and chemical properties and behavior of complex materials using first principles. This book introduces dramatically new computational techniques in materials research, specifically for understanding molecular dynamics.
Book Synopsis Computational Modeling of Polymers by : Jozef Bicerano
Download or read book Computational Modeling of Polymers written by Jozef Bicerano and published by CRC Press. This book was released on 1992-03-17 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computer Simulations of Liquid Crystals and Polymers by : Paolo Pasini
Download or read book Computer Simulations of Liquid Crystals and Polymers written by Paolo Pasini and published by Springer Science & Business Media. This book was released on 2005-02-15 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Liquid crystals, polymers and polymer liquid crystals are soft condensed matter systems of major technological and scientific interest. An understanding of the macroscopic properties of these complex systems and of their many and interesting peculiarities at the molecular level can nowadays only be attained using computer simulations and statistical mechanical theories. Both in the Liquid Crystal and Polymer fields a considerable amount of simulation work has been done in the last few years with various classes of models at different special resolutions, ranging from atomistic to molecular and coarse-grained lattice models. Each of the two fields has developed its own set of tools and specialized procedures and the book aims to provide a state of the art review of the computer simulation studies of polymers and liquid crystals. This is of great importance in view of a potential cross-fertilization between these connected areas which is particularly apparent for a number of experimental systems like, e.g. polymer liquid crystals and anisotropic gels where the different fields necessarily merge. An effort has been made to assess the possibilities of a coherent description of the themes that have developed independently, and to compare and extend the theoretical and computational techniques put forward in the different areas.
Book Synopsis Conjugated Conducting Polymers by : Helmut Kiess
Download or read book Conjugated Conducting Polymers written by Helmut Kiess and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews the current understanding of electronic, optical and magnetic properties of conjugated polymers in both the semiconducting and metallic states. It introduces in particular novel phenomena and concepts in these quasi one-dimensional materials that differ from the well-established concepts valid for crystalline semiconductors. After a brief introductory chapter, the second chapter presents basic theore tical concepts and treats in detail the various models for n-conjugated polymers and the computational methods required to derive observable quantities. Specific spatially localized structures, often referred to as solitons, polarons and bipolarons, result naturally from the interaction between n-electrons and lattice displacements. For a semi-quantitative understanding of the various measure ments, electron-electron interactions have to be incorporated in the models; this in turn makes the calculations rather complicated. The third chapter is devoted to the electrical properties of these materials. The high metallic conductivity achieved by doping gave rise to the expression conducting polymers, which is often used for such materials even when they are in their semiconducting or insulating state. Although conductivity is one of the most important features, the reader will learn how difficult it is to draw definite conclusions about the nature of the charge carriers and the microscopic transport mechanism solely from electrical measurements. Optical properties are discussed in the fourth chapter.
Book Synopsis Properties of Polymers by : D.W. van Krevelen
Download or read book Properties of Polymers written by D.W. van Krevelen and published by Elsevier. This book was released on 2012-12-02 with total page 898 pages. Available in PDF, EPUB and Kindle. Book excerpt: Properties of Polymers: Their Correlation with Chemical Structure; Their Numerical Estimation and Prediction from Additive Group Contributions summarizes the latest developments regarding polymers, their properties in relation to chemical structure, and methods for estimating and predicting numerical properties from chemical structure. In particular, it examines polymer electrical properties, magnetic properties, and mechanical properties, as well as their crystallization and environmental behavior and failure. The rheological properties of polymer melts and polymer solutions are also considered. Organized into seven parts encompassing 27 chapters, this book begins with an overview of polymer science and engineering, including the typology of polymers and their properties. It then turns to a discussion of thermophysical properties, from transition temperatures to volumetric and calorimetric properties, along with the cohesive aspects and conformation statistics. It also introduces the reader to the behavior of polymers in electromagnetic and mechanical fields of force. The book covers the quantities that influence the transport of heat, momentum, and matter, particularly heat conductivity, viscosity, and diffusivity; properties that control the chemical stability and breakdown of polymers; and polymer properties as an integral concept, with emphasis on processing and product properties. Readers will find tables that give valuable (numerical) data on polymers and include a survey of the group contributions (increments) of almost every additive function considered. This book is a valuable resource for anyone working on practical problems in the field of polymers, including organic chemists, chemical engineers, polymer processers, polymer technologists, and both graduate and PhD students.
Book Synopsis Molecularly Imprinted Polymers by : Zeynep Altintas
Download or read book Molecularly Imprinted Polymers written by Zeynep Altintas and published by Springer Nature. This book was released on with total page 413 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Modeling and Simulation in Polymers by : Purushottam D. Gujrati
Download or read book Modeling and Simulation in Polymers written by Purushottam D. Gujrati and published by John Wiley & Sons. This book was released on 2010-03-30 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: Filling a gap in the literature and all set to become the standard in this field, this monograph begins with a look at computational viscoelastic fluid mechanics and studies of turbulent flows of dilute polymer solutions. It then goes on discuss simulations of nanocomposites, polymerization kinetics, computational approaches for polymers and modeling polyelectrolytes. Further sections deal with tire optimization, irreversible phenomena in polymers, the hydrodynamics of artificial and bacterial flagella as well as modeling and simulation in liquid crystals. The result is invaluable reading for polymer and theoretical chemists, chemists in industry, materials scientists and plastics technologists.
Book Synopsis Molecularly Imprinted Polymers in Biotechnology by : Bo Mattiasson
Download or read book Molecularly Imprinted Polymers in Biotechnology written by Bo Mattiasson and published by Springer. This book was released on 2015-07-14 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: Controlled radical polymerization techniques for molecular imprinting, by Mark E. Byrne From bulk polymers to nanoparticles, by Lei Ye Post-imprinting and in-cavity functionalization, by Toshifumi Takeuchi Characterization of MIPs (affinity, selectivity, site heterogeneity...), by Richard Ansell Theoretical aspects and computer modelling, by Ian Nicholls MIPs in aqueous environments, by Bin Lu MIPs for binding macromolecules, by Kenneth J. Shea Solid phase extraction, by Ecevit Yilmaz Sensors, by Sergey A. Piletsky MIPs for catalysis and synthesis, by Marina Resmini Wastewater treatment, by Bo Mattiasson MIPs as tools for bioassays, biotransformation and drug delivery, by Meiping Zhao
Book Synopsis Imidic Polymers and Green Polymer Chemistry by : Andreea Irina Barzic
Download or read book Imidic Polymers and Green Polymer Chemistry written by Andreea Irina Barzic and published by CRC Press. This book was released on 2021-03-25 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews the latest research, development, and future potential of polyimides and green polymer chemistry. It combines the major interdisciplinary research in this area. Polymers with imidic structure, known as polyimides, are widely investigated owing to their practical implications in numerous industrial sectors. The book explains why polyimides offer versatility unparalleled in comparison to most other classes of macromolecules. In addition, developments in green polymer chemistry in this area have been stimulated by health and environmental concerns, interest in sustainability, desire to decrease the dependence on petroleum, and opportunities to design and produce “green” products and processes. Major advances include new uses of green processing methodologies, and green polymeric products. Imidic Polymers and Green Polymer Chemistry: New Technology and Developments in Process and Product is targeted to scientists, engineers, and students who are involved or interested in green polymer chemistry and imidic polymers. This book will serve as a valuable reference for those with an interest in synthesis of polyimides and the chemistry and physical chemistry of polyimide compounds.
