Modeling and Simulation in Polymers


Book Description

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.




Polymer Processing


Book Description




Simulation Methods for Polymers


Book Description




Rheology in Polymer Processing


Book Description

"Rheology in Polymer Processing" introduces the fundamentals of rheology and rheometry as the basis for modeling and computer-aided design in plastics processing. The logically structured content enables the reader to intelligently use the tools of computer-aided design and modeling of plastics processing, with correct interpretation of the results. The book presents difficult and complex issues of rheology and modeling in an accessible way, with particular emphasis on the practical engineering aspects. The software described in the book allows modeling all the important problems of plastics processing. Particular attention is paid to the extrusion process, which is fundamentally important as a processing technology in mass manufacture of plastic parts, and the basis of compounding processes (blending, filling, granulation, and reinforcement). This book is aimed equally at engineers, researchers, and scientists, as well as intermediate students, for whom it will serve as an ideal course book.




Polymer Coatings: Technologies and Applications


Book Description

Polymer Coatings: Technologies and Applications provides a comprehensive account of the recent developments in polymer coatings encompassing novel methods, techniques, and a broad spectrum of applications. The chapters explore the key aspects of polymer coatings while highlighting fundamental research, different types of polymer coatings, and technology advances. This book also integrates the various aspects of these materials from synthesis to application. Current status, trends, future directions, and opportunities are also discussed. FEATURES Examines the basics to the most recent advances in all areas of polymer coatings Serves as a one-stop reference Discusses polymer-coated nanocrystals and coatings based on nanocomposites Describes morphology, spectroscopic analysis, adhesion, and rheology of polymer coatings Explores conducting, stimuli-responsive, self-healing, hydrophobic and hydrophilic, antifouling, and antibacterial polymer coatings Covers modeling and simulation With contributions from the top international researchers from industry, academia, government, and private research institutions, both new and experienced readers will benefit from this applications-oriented book. Sanjay Mavinkere Rangappa is a research scientist at the Natural Composites Research Group Lab, Academic Enhancement Department, King Mongkut’s University of Technology North Bangkok, Thailand. Jyotishkumar Parameswaranpillai is a research professor at the Center of Innovation in Design and Engineering for Manufacturing, King Mongkut’s University of Technology North Bangkok, Thailand. Suchart Siengchin is a professor at and president of King Mongkut’s University of Technology North Bangkok, Thailand.




Monte Carlo and Molecular Dynamics Simulations in Polymer Science


Book Description

Written by leading experts from around the world, Monte Carlo and Molecular Dynamics Simulations in Polymer Science comprehensively reviews the latest simulation techniques for macromolecular materials. Focusing in particular on numerous new techniques, the book offers authoritative introductions to solutions of neutral polymers and polyelectrolytes; dynamics of polymer melts, rubbers and gels, and glassy materials; thermodynamics of polymer mixing and mesophase formation, and polymers confined at interfaces and grafted to walls. Throughout, contributors offer practical advice on how to overcome the unique challenges posed by the large size and slow relaxation of polymer coils. Students and researchers in polymer chemistry, polymer physics, chemical engineering, and materials and computational science will all benefit from the cogent, step-by-step introductions contained in this important new book.




Computer Simulation of Polymeric Materials


Book Description

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.




Molecular Modeling of Polymer Structures and Properties


Book Description

This book provides an introduction to the techniques of molecular modeling and simulation with practical examples.




Theory and Modeling of Polymer Nanocomposites


Book Description

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.




Modeling and Simulation in Polymer Reaction Engineering


Book Description

Introducing a unique, modular approach to modeling polymerization reactions, this useful book will enable practitioners - chemists and engineers alike - to set up and structure their own models for simulation software like Predici®, C++, MatLab® or others. The generic modules are exemplified for concrete situations for various reactor types and reaction mechanisms and allow readers to quickly find their own point of interest - a highly useful information source for polymer engineers and researchers in industry and academia.