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.

In recent years, multicomponent polymers have generated much interest due to their excellent properties, unique morphology and high-end applications. Book focusses on thermal, thermo-mechanical and dielectric analysis of polymers and multicomponent polymeric systems like blends, interpenetrating polymeric networks (IPNs), gels, polymer composites, nanocomposites. Through these analyses, it provides an insight into the stability of polymer systems as a function of time, processing and usage. Aimed at polymer chemists, physicists and engineers, it also covers ASTM /ISO and other standards of various measurement techniques for systematic analysis in materials science.

This dissertation presents novel mechanical designs and advances in both polymer layer multiplication and extensional rheology. In Part I, advances in polymer layer multiplication include the investigation of typical thermoplastic layer multiplication extrusion dies and the redesign of such by means of experimental and computational investigation. Results show a decrease in flow instabilities including viscous encapsulation and elastic instabilities. Similarly, an innovative layer multiplication system for highly filled and elastic rubber compounds is presented. Both of these novel systems for thermoplastic and thermosetting polymer systems are validated and understood by numerical methods using ANSYS Polyflow and CFD-Post. These advances in multilayer coextrusion allow for layering of new families of rheologically complex and as well mismatched materials, thus widening the processing capabilities at the Center for Layered Polymeric Systems. In Part II, advances in extensional rheology include a newly developed extensional rheometer for achieving high Henkystrains. The Meissner Extensional Rheometer Accessory or MERA is limited in strain only by sample rupture. Experimental validation is performed using two materials, a styrene-butadiene rubber (SBR) and a linear polystyrene (PS); the results are compared with those obtained using the well-known SER. Due to its design, it was possible to achieve homogeneous extensional flow up to unprecedented real Hencky strains in excess of 8. The second half of Part II covers a rheological understanding behind the mechanism of sharkskin, a melt fracture instability during extrusion. Solution-styrene-butadiene-styrene blended with various polybutadienes is studied. Experimental extrusion results show a behavior difference depending on the molecular architecture of the latter, polybutadiene. Extensional rheological techniques are used to investigate the behavior. Results show a higher sensitivity to stress relaxation after a step-strain rather than typical stress growth coefficients in extension.

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.

Closing a gap in the literature, this is the first comprehensive handbook on this modern and important polymer topic. Edited by highly experienced and top scientists in the field, this ready reference covers all aspects, including material science, biopolymers, gels, phase separating systems, frontal polymerization and much more. The introductory chapter offers the perfect starting point for the non-expert.

This book provides a pedagogical introduction to the theoretical and computer simulation techniques that are useful in the design of polymer formulations including personal care products, multiphase plastic materials, processed foods, and colloidal and nanoparticle dispersions. The book serves to unify previous work in a common language and provides a balanced treatment of analytical theory and numerical techniques, including an introduction to the exciting new field offield-theoretic polymer simulations - the direct numerical simulation of field theory models of meso-structured polymer melts, solutions, and dispersions.