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.
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.
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:
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
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.
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.
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
Download or read book Numerical Methods for Polymeric Systems written by Stuart G. Whittington and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 225 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.
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.
Download or read book Computer Simulation of Polymers written by Elizabeth A. Colbourn and published by Longman Publishing Group. This book was released on 1994 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: For chemists, physicists, and students of computer simulation, provides a detailed examination of the complex problems of time and size scaling in molecular modeling and simulation. It includes not only atomistic modeling but also coarse-grained models, which allow longer time scales and therefore larger systems to be studied. Monte Carlo methods are also discussed, and have proven to be particularly powerful tools for examining a range of polymer problems. Assumes a background knowledge of synthetic polymer properties and simulation. Annotation copyright by Book News, Inc., Portland, OR
Download or read book Computational Study of Polymerization Crystallization and Mechanical Properties of Conducting Polymers written by Donghyun Kim and published by . This book was released on 2021 with total page 76 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Materials Science written by Kaoru Ohno and published by Springer. This book was released on 2018-04-14 with total page 427 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations enabling to calculate the physical and chemical properties by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tight-binding and classical potential methods are briefly introduced to indicate how one can increase the number of atoms in the system. In the second half of the book, Monte Carlo simulation is discussed in detail. Problems and solutions are provided to facilitate understanding. Readers will gain sufficient knowledge to begin theoretical studies in modern materials research. This second edition includes a lot of recent theoretical techniques in materials research. With the computers power now available, it is possible to use these numerical techniques to study various physical and chemical properties of complex materials from first principles. The new edition also covers empirical methods, such as tight-binding and molecular dynamics.
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.
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.
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.
Download or read book Redox Polymers for Energy and Nanomedicine written by Nerea Casado and published by Royal Society of Chemistry. This book was released on 2020-10-20 with total page 575 pages. Available in PDF, EPUB and Kindle. Book excerpt: Redox Polymers for Energy and Nanomedicine highlights trends in the chemistry, characterization and application of polymers with redox properties.
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.
