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.