Modeling And Simulation In Polymers

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.

"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.

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

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.

This book addresses traditional polymer processing as well as the emerging technologies associated with the plastics industry in the 21st Century, and combines engineering modeling aspects with computer simulation of realistic polymer processes. This book is designed to provide a polymer processing background to engineering students and practicing engineers. This three-part textbook is written for a two-semester polymer processing series in mechanical and chemical engineering. The first and second part of the book are designed for a senior- to graduate level course, introducing polymer processing, and the third part is for a graduate course on simulation in polymer processing. Throughout the book, many applications are presented in form of examples and illustrations. These will also serve the practicing engineer as a guide when determining important parameters and factors during the design process or when optimizing a process. Examples are presented throughout the book, and problems and solutions are available.

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.

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

Understand quantitative model step-growth polymerization plans and how to predict properties of the product polymer with the essential information in Step-Growth Polymerization Process Modeling and Product Design. If you want to learn how to simulate step-growth polymerization processes using commercial software and seek an in-depth, quantitative understanding of how to develop, use, and deploy these simulations, consult this must-have guide. The book focuses on quantitative relationships between key process input variables (KPIVs) and key process output variables (KPOVs), and the integrated modeling of an entire polymer manufacturing train.