Modeling and Prediction of Polymer Nanocomposite Properties

PREFACE

CONVERGENCE OF EXPERIMENTAL AND MODELING STUDIES
Introduction
Review of Various Model Systems

SELF-CONSISTENT FIELD THEORY MODELING OF POLYMER NANOCOMPOSITES
Introduction
Theoretical Methods
Applications of SCFT Modeling: Predicting the Nanocomposite Phase Behavior
Summary and Outlook

MODERN EXPERIMENTAL AND THEORETICAL ANALYSIS METHODS OF PARTICULATE-FILLED NANOCOMPOSITES STRUCTURE
Introduction
Experimental
Results and Discussion
Conclusions

REPTATION MODEL FOR THE DYNAMICS AND RHEOLOGY OF PARTICLE REINFORCED POLYMER CHAINS
Introduction
Terminal Relaxation Time
Detachment/Reattachment Dynamics
Constitutive Equation
Numerical Results
Discussion and Generalization of the Model
Conclusions

MULTISCALE MODELING APPROACH FOR POLYMERIC NANOCOMPOSITES
Multiscale Modeling of Polymer-Based Nanocomposite Materials: Toward 'Virtual Design'
Atomistic Scale: Basic Instincts
Mesoscale: Connecting Structure to Properties
Macroscale: Where Is the Detail? The Matter at Continuum
Conclusions

MODELING OF OXYGEN PERMEATION AND MECHANICAL PROPERTIES OF POLYPROPYLENE-LAYERED SILICATE NANOCOMPOSITES USING DOE DESIGNS
Introduction
Materials and Methods
Results and Discussion
Conclusions

MULTISCALE STOCHASTIC FINITE ELEMENTS MODELING OF POLYMER NANOCOMPOSITES
Introduction
Multiscale Stochastic Finite Elements Method
Applications and Results

MODELING OF THERMAL CONDUCTIVITY OF POLYMER NANOCOMPOSITES
Models for Thermal Conductivity of Polymer Composites - A Historical Review on Effective Medium Approximations and Micromechanical Models
A Generalized Effective Medium Theory
Challenges for Modeling Thermal Conductivity of Polymer Nanocomposites

NUMERICAL - ANALYTICAL MODEL FOR NANOTUBE-REINFORCED NANOCOMPOSITES
Introduction
Numerical - Analytical Model
Results
Conclusions

DISSIPATIVE PARTICLES DYNAMICS MODEL FOR POLYMER NANOCOMPOSITES
Introduction
Scheme for Multiscale Modeling
Two Case Studies
Future Work

COMPUTER-AIDED PRODUCT DESIGN OF WHEAT STRAW POLYPROPYLENE COMPOSITES
Natural Fiber Plastic Composites
Wheat Straw Polypropylene Composites
Product Design and Computer-Aided Product Design
Modeling Natural Fiber Polymer Composites
Mixture Design of Experiments

MODELING OF THE CHEMORHEOLOGICAL BEHAVIOR OF THERMOSETTING POLYMER NANOCOMPOSITES
Introduction
The Cure Kinetics Model
The Chemoviscosity Model
Relationship between Tg and alpha
Case Study 1: Carbon Nanofibers in Unsaturated Polyester
Case Study 2: Montmorillonite in Epoxy Resin

INDEX