An indispensable resource for busy researchers

Among the most exciting developments in polymer science over the past decade has been the advent of powerful and affordable computer modeling tools. With such tools at their disposal, researchers now can study and explore the structures of new or theoretical polymer systems at scales ranging from the atomic to the macroscopic. Through modeling and simulation, one can make predictions about physical properties and processing behavior to a degree of accuracy unimaginable just a generation ago.

Edited by an acknowledged leader in the field, Molecular Simulation Methods for Predicting Polymer Properties brings readers up to speed on the most effective modeling techniques for matching polymer structure to physical property. Unlike most books on the topic, it features coverage concentrated on properties, making it the most accessible and practical choice for busy professionals. Each chapter is written by an expert in his field and addresses all current methods for studying a particular system. Current applications of commercial molecular modeling software are also discussed in detail. Topics covered include:

• Quantum mechanical methods for predicting polymer properties
• How to choose and validate a force field for specific systems application
• Modeling the static, thermodynamic, and dynamic properties of polymer systems
• Simulating materials derived from melt-bending polymer components
• Coarse-grained modeling of binary polymer blends
• Mesoscopic simulations of polymer blends
• Modeling the mechanical properties of semi-crystalline polymers
• Predicting the structure and properties of elastomers