Download or read book Molecular Modeling of Polymers written by Gregory C. Rutledge and published by John Wiley & Sons. This book was released on 1998 with total page 134 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 Understanding Molecular Simulation written by Daan Frenkel and published by Elsevier. This book was released on 2001-10-19 with total page 661 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: - Transition path sampling and diffusive barrier crossing to simulaterare events - Dissipative particle dynamic as a course-grained simulation technique - Novel schemes to compute the long-ranged forces - Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations - Multiple-time step algorithms as an alternative for constraints - Defects in solids - The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules - Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.
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.
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.
Download or read book The Theory of Polymer Dynamics written by Masao Doi and published by Oxford University Press. This book was released on 1988 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive account of the modern theory for the dynamical properties of polymer solutions. The theory has undergone dramatic evolution over the last two decades due to the introduction of new methods and concepts that have extended the frontier of theory from dilute solutions in which polymers move independently to concentrated solutions where many polymers converge. Among the properties examined are viscoelasticity, diffusion, dynamic light scattering, and electric birefringence. Nonlinear viscoelasticity is discussed in detail on the basis of molecular dynamical models. The book bridges the gap between classical theory and new developments, creating a consistent picture of polymer solution dynamics over the entire concentration range.
Download or read book Anelastic and Dielectric Effects in Polymeric Solids written by N. G. McCrum and published by . This book was released on 1967 with total page 617 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Physics of Deformation and Fracture of Polymers written by A. S. Argon and published by Cambridge University Press. This book was released on 2013-03-07 with total page 535 pages. Available in PDF, EPUB and Kindle. Book excerpt: A physical, mechanism-based presentation of the plasticity and fracture of polymers, covering industrial scale applications through to nanoscale biofluidic devices.
Download or read book Atomistic Modeling of Materials Failure written by Markus J. Buehler and published by Springer Science & Business Media. This book was released on 2008-08-07 with total page 547 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is an introduction to molecular and atomistic modeling techniques applied to fracture and deformation of solids, focusing on a variety of brittle, ductile, geometrically confined and biological materials. The overview includes computational methods and techniques operating at the atomic scale, and describes how these techniques can be used to model cracks and other deformation mechanisms. The book aims to make new molecular modeling techniques available to a wider community.
Download or read book Regular and Related Solutions written by Joel Henry Hildebrand and published by . This book was released on 1970 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Simulation Methods for Predicting Polymer Properties written by Vassilios Galiatsatos and published by John Wiley & Sons. This book was released on 2005-02-03 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt: Among the thousands of synthesized polymers, new polymeric substances and materials with new, often unusual, properties often arise. Consequently, this presents a problem in determining the physical properties of polymers, and thus makes it difficult to ascertain how to synthesize polymers with desired properties. This book discusses what molecular modelling can do to predict the properties of realistic polymer systems. Organized by property, each chapter will address the methods one may use to study the particular system. * Focuses on polymer properties rather than methods, making it more accessible to the average scientist/engineer * All important polymers will be covered, such as amorphous polymers, semicrystalline polymers, elastomers, emulsions, polymer interfaces and surfaces * Chapters contributed by experts in the field * Discusses current commercial software used in molecular simulation
Download or read book Polymer Engineering Science and Viscoelasticity written by Hal F. Brinson and published by Springer. This book was released on 2015-01-24 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a unified mechanics and materials perspective on polymers: both the mathematics of viscoelasticity theory as well as the physical mechanisms behind polymer deformation processes. Introductory material on fundamental mechanics is included to provide a continuous baseline for readers from all disciplines. Introductory material on the chemical and molecular basis of polymers is also included, which is essential to the understanding of the thermomechanical response. This self-contained text covers the viscoelastic characterization of polymers including constitutive modeling, experimental methods, thermal response, and stress and failure analysis. Example problems are provided within the text as well as at the end of each chapter. New to this edition: · One new chapter on the use of nano-material inclusions for structural polymer applications and applications such as fiber-reinforced polymers and adhesively bonded structures · Brings up-to-date polymer production and sales data and equipment and procedures for evaluating polymer characterization and classification · The work serves as a comprehensive reference for advanced seniors seeking graduate level courses, first and second year graduate students, and practicing engineers
Download or read book Introduction to Polymer Physics written by Masao Doi and published by Oxford University Press. This book was released on 1996 with total page 148 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a concise and clearly written introduction to the modern theory of polymer physics. The book describes basic concepts and methods of investigating the statistical properties of the assembly of chain-like molecules. The topics discussed include scaling theory, concentration fluctuation, gels, and reptation. Both graduate students and researchers in physics, physical chemistry, chemical engineering, and materials science will find this an extremely useful textbook and reference work.
Download or read book Primary Photoexcitations In Conjugated Polymers Molecular Exciton Versus Semiconductor Band Model written by Niyasi Serdar Sariciftci and published by World Scientific. This book was released on 1998-01-02 with total page 641 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume concentrates on the controversy within the scientific community over how to explain, understand and describe the photophysics/photochemistry of this class of materials.This controvery is of such a fundamental nature that the solution of the problem might be in a unification of the semiconductor and metal physics with the molecular quantum chemistry. Thus, a wide-ranging and comprehensive discussion of this very crucial issue has not been written down yet.This volume brings together the most prominent scientists specializing in this controversial topic. Each contributor addresses the opponents' arguments. After short introductory chapters, the contributors discuss their own speciality area and compare the results with both models and explain their position on why one of the models is more appropriate. Special emphasis is given to comparative discussions with other conjugated molecular systems as well as inorganic semiconductors.
Download or read book Chemorheology of Polymers written by Peter J. Halley and published by Cambridge University Press. This book was released on 2009-05-28 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the dynamics of reactive polymer processes allows scientists to create new, high-value, high-performance polymers. This book is an indispensable resource for researchers and practitioners working in this area. It includes coverage of thermoplastics, thermoset and reactive polymers, together with practical industrial processes and modern chemorheological models and tools.
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Download or read book Mechanical Properties of Solid Polymers written by Ian M. Ward and published by John Wiley & Sons. This book was released on 2012-10-22 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: Providing an updated and comprehensive account of the properties of solid polymers, the book covers all aspects of mechanical behaviour. This includes finite elastic behavior, linear viscoelasticity and mechanical relaxations, mechanical anisotropy, non-linear viscoelasicity, yield behavior and fracture. New to this edition is coverage of polymer nanocomposites, and molecular interpretations of yield, e.g. Bowden, Young, and Argon. The book begins by focusing on the structure of polymers, including their chemical composition and physical structure. It goes on to discuss the mechanical properties and behaviour of polymers, the statistical molecular theories of the rubber-like state and describes aspects of linear viscoelastic behaviour, its measurement, and experimental studies. Later chapters cover composites and experimental behaviour, relaxation transitions, stress and yielding. The book concludes with a discussion of breaking phenomena.
