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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 Computational Methods for Polymers by : Masoud Soroush
Download or read book Computational Methods for Polymers written by Masoud Soroush and published by . This book was released on 2020 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 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 520 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 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 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 Computational Studies, Nanotechnology, and Solution Thermodynamics of Polymer Systems by : Mark D. Dadmun
Download or read book Computational Studies, Nanotechnology, and Solution Thermodynamics of Polymer Systems written by Mark D. Dadmun and published by Springer Science & Business Media. This book was released on 2001-02-28 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume combines two symposia, Computational Polymer Science and Nanotechnology, and Solution Thermodynamics of Polymers, both held at the Southeastern Regional Meeting of the American Chemical Society, October 17-20, 1999, in Knoxville, Tennessee. Both symposia brought together leaders, pioneers, and promising researchers in the area of the physical chemistry of polymers. The first meeting concentrated on computational techniques, while the other presented recent work on both experimental and theoretical works in the physical chemistry of polymers.
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 Methods for Microstructure-Property Relationships by : Somnath Ghosh
Download or read book Computational Methods for Microstructure-Property Relationships written by Somnath Ghosh and published by Springer Science & Business Media. This book was released on 2010-11-17 with total page 669 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Methods for Microstructure-Property Relationships introduces state-of-the-art advances in computational modeling approaches for materials structure-property relations. Written with an approach that recognizes the necessity of the engineering computational mechanics framework, this volume provides balanced treatment of heterogeneous materials structures within the microstructural and component scales. Encompassing both computational mechanics and computational materials science disciplines, this volume offers an analysis of the current techniques and selected topics important to industry researchers, such as deformation, creep and fatigue of primarily metallic materials. Researchers, engineers and professionals involved with predicting performance and failure of materials will find Computational Methods for Microstructure-Property Relationships a valuable reference.
Book Synopsis Numerical Methods for Polymeric Systems by : Stuart G. Whittington
Download or read book Numerical Methods for Polymeric Systems written by Stuart G. Whittington and published by Springer. This book was released on 2012-10-21 with total page 223 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polymers occur in many different states and their physical properties are strongly correlated with their conformations. The theoretical investigation of the conformational properties of polymers is a difficult task and numerical methods play an important role in this field. This book contains contributions from a workshop on numerical methods for polymeric systems, held at the IMA in May 1996, which brought together chemists, physicists, mathematicians, computer scientists and statisticians with a common interest in numerical methods. The two major approaches used in the field are molecular dynamics and Monte Carlo methods, and the book includes reviews of both approaches as well as applications to particular polymeric systems. The molecular dynamics approach solves the Newtonian equations of motion of the polymer, giving direct information about the polymer dynamics as well as about static properties. The Monte Carlo approaches discussed in this book all involve sampling along a Markov chain defined on the configuration space of the system. An important feature of the book is the treatment of Monte Carlo methods, including umbrella sampling and multiple Markov chain methods, which are useful for strongly interacting systems such as polymers at low temperatures and in compact phases. The book is of interest to workers in polymer statistical mechanics and also to a wider audience interested in numerical methods and their application in polymeric systems.
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: Computational Modeling of Polymer Composites: A Study of Creep and Environmental Effects details the development of polymeric materials and their use in smart materials and composite structures in aerospace and automotive industries. Based on the authors' work during the past 30 years, this book provides a strong understanding of the theories and a
Book Synopsis Engineering of Polymers and Chemical Complexity by : LinShu Liu
Download or read book Engineering of Polymers and Chemical Complexity written by LinShu Liu and published by CRC Press. This book was released on 2014-05-14 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a broad overview of current studies in the engineering of polymers and chemicals of various origins. The innovative chapters cover the growth of educational, scientific, and industrial research activities among chemists, biologists, and polymer and chemical engineers. This book publishes significant research and reviews reporting new methodologies and important applications in the fields of industrial chemistry, industrial polymers, and biotechnology, as well the latest coverage of chemical databases and the development of new computational methods and efficient algorithms for chemical software and polymer engineering.
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 Wiley-VCH. This book was released on 2010-03-30 with total page 576 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 Computational and Experimental Analysis of Functional Materials by : Oleksandr V. Reshetnyak
Download or read book Computational and Experimental Analysis of Functional Materials written by Oleksandr V. Reshetnyak and published by CRC Press. This book was released on 2017-03-27 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book looks at the synthesis of polyaniline by different methods, under different conditions, for various applications, and presents studies of its properties by a wide range of the modern physic-chemical methods. The book provides a comprehensive analysis of experimental results from the point of view of the correlations in the triad synthesis conditions–structurephysico–chemical properties. It combines the results of experimental investigations and original methodology of the description of physical–chemical and electrochemical phenomena at interface surfaces, showing an influence of such phenomena on the applied aspects of the polyaniline and nanocomposites on its basis applications.
Book Synopsis Engineering of Polymers and Chemical Complexity, Two-Volume Set by : LinShu Liu
Download or read book Engineering of Polymers and Chemical Complexity, Two-Volume Set written by LinShu Liu and published by Apple Academic Press. This book was released on 2014-08-01 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: This new two-volume set provides a broad overview of current studies in the engineering of polymers and chemicals with complexity of various origins, on scales ranging from single molecules and nano-phenomena to macroscopic chemicals. Starting with a detailed introduction to the history of research on complex chemical systems and its current state of the art and perspectives, the books present chapters that survey the current progress in particular research fields. The chapters, prepared by leading international experts, create a fascinating picture of a rapidly developing research discipline that brings chemical technology and polymers to new frontiers. These books provide innovative chapters on the growth of educational, scientific, and industrial research activities among chemists, biologists, and polymer and chemical engineers and provides a medium for mutual communication between international academia and the industry. Presenting significant research and reviews that report new methodologies and important applications in the fields of industrial chemistry, industrial polymers, and biotechnology, the books also cover chemical databases and the development of new computational methods and efficient algorithms for chemical software and polymer engineering.
Download or read book Injection Molding written by Rong Zheng and published by Springer Science & Business Media. This book was released on 2011-06-21 with total page 188 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers fundamental principles and numerical methods relevant to the modeling of the injection molding process. As injection molding processing is related to rheology, mechanical and chemical engineering, polymer science and computational methods, and is a rapidly growing field, the book provides a multidisciplinary and comprehensive introduction to the subjects required for an understanding of the complex process. It addresses the up-to-date status of fundamental understanding and simulation technologies, without losing sight of still useful classical approaches. The main chapters of the book are devoted to the currently active fields of flow-induced crystallization and orientation evolution of fiber suspensions, respectively, followed by detailed discussion of their effects on mechanical property, shrinkage and warpage of injection-molded products. The level of the proposed book will be suitable for interested scientists, R&D engineers, application engineers, and graduate students in engineering.
Book Synopsis Computational Materials Chemistry by : L.A. Curtiss
Download or read book Computational Materials Chemistry written by L.A. Curtiss and published by Springer Science & Business Media. This book was released on 2006-01-16 with total page 381 pages. Available in PDF, EPUB and Kindle. Book excerpt: As a result of the advancements in algorithms and the huge increase in speed of computers over the past decade, electronic structure calculations have evolved into a valuable tool for characterizing surface species and for elucidating the pathways for their formation and reactivity. It is also now possible to calculate, including electric field effects, STM images for surface structures. To date the calculation of such images has been dominated by density functional methods, primarily because the computational cost of - curate wave-function based calculations using either realistic cluster or slab models would be prohibitive. DFT calculations have proven especially valuable for elucidating chemical processes on silicon and other semiconductor surfaces. However, it is also clear that some of the systems to which DFT methods have been applied have large non-dynamical correlation effects, which may not be properly handled by the current generation of Kohn-Sham-based density functionals. For example, our CASSCF calculations on the Si(001)/acetylene system reveal that at some geometries there is extensive 86 configuration mixing. This, in turn, could signal problems for DFT cal- lations on these systems. Some of these problem systems can be addressed using ONIOM or other “layering” methods, treating the primary region of interest with a CASMP2 or other multireference-based method, and treating the secondary region by a lower level of electronic structure theory or by use of a molecular mechanics method. ACKNOWLEDGEMENTS We wish to thank H. Jónsson, C. Sosa, D. Sorescu, P. Nachtigall, and T. -C.
Book Synopsis Viscoelasticity of Polymers by : Kwang Soo Cho
Download or read book Viscoelasticity of Polymers written by Kwang Soo Cho and published by Springer. This book was released on 2016-05-30 with total page 612 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a comprehensive introduction to polymer rheology with a focus on the viscoelastic characterization of polymeric materials. It contains various numerical algorithms for the processing of viscoelastic data, from basic principles to advanced examples which are hard to find in the existing literature. The book takes a multidisciplinary approach to the study of the viscoelasticity of polymers, and is self-contained, including the essential mathematics, continuum mechanics, polymer science and statistical mechanics needed to understand the theories of polymer viscoelasticity. It covers recent achievements in polymer rheology, such as theoretical and experimental aspects of large amplitude oscillatory shear (LAOS), and numerical methods for linear viscoelasticity, as well as new insights into the interpretation of experimental data. Although the book is balanced between the theoretical and experimental aspects of polymer rheology, the author’s particular interest in the theoretical side will not remain hidden. Aimed at readers familiar with the mathematics and physics of engineering at an undergraduate level, the multidisciplinary approach employed enables researchers with various scientific backgrounds to expand their knowledge of polymer rheology in a systematic way.
