1;Encyclopedia of Polymer Blends;1 1.1;Contents;7 1.2;Preface;13 1.3;List of Contributors;17 1.4;1: Molecular Simulation of Polymer Melts and Blends: Methods, Phase Behavior, Interfaces, and Surfaces;19 1.4.1;1.1 Introduction;19 1.4.2;1.2 Molecular Models for Polymers and Monte Carlo Simulations;24 1.4.2.1;1.2.1 Modeling Polymers in Molecular Simulations;24 1.4.2.2;1.2.2 Basics of Monte Carlo Simulations;26 1.4.2.3;1.2.3 Determination of Phase Behavior;27 1.4.3;1.3 Wetting and Phase Diagrams in Confined Geometries;32 1.4.3.1;1.3.1 Length and Energy Scales of Minimal, Coarse-Grained Models for Polymer-SolidContacts;32 1.4.3.2;1.3.2 Measuring the Surface Free Energy Difference, ??, by Computer Simulation;36 1.4.3.3;1.3.3 Application to Polymer-Solvent Mixtures;38 1.4.4;1.4 Molecular Dynamics Method;39 1.4.4.1;1.4.1 Basic Molecular Dynamics;39 1.4.4.2;1.4.2 Non-equilibrium Molecular Dynamics Simulations of Coarse-GrainedPolymer Systems;41 1.4.5;1.5 Atomistic Simulation of Polymer Melts and Blends Using Molecular DynamicsTechniques;46 1.4.5.1;1.5.1 Polymer Melts;46 1.4.5.2;1.5.2 Polymer Blends;48 1.4.5.3;1.5.3 Reversible Mapping between Atomistic, Coarse Grained, and Field Models;51 1.4.5.4;1.5.4 Comparison to Experiment and Future Challenges;52 1.4.6;1.6 Concluding Remarks;53 1.4.7;Symbols;55 1.4.8;References;56 1.5;2: Thermodynamics of Flexible and Rigid Rod Polymer Blends;63 1.5.1;2.1 Introduction;63 1.5.2;2.2 Fundamentals of a Nematic Phase;64 1.5.2.1;2.2.1 Scalar Orientational Order Parameter;64 1.5.2.2;2.2.2 Free Energy of Rigid Rod Solutions;65 1.5.2.3;2.2.3 Nematic-Isotropic Phase Separations;69 1.5.2.4;2.2.4 Entropy- and Energy-Driven Nematic Ordering;72 1.5.3;2.3 Mixtures of a Flexible Polymer and a Rigid Rod;74 1.5.3.1;2.3.1 Free Energy of Flexible and Rigid Rod Polymer Blends;77 1.5.3.2;2.3.2 Nematic-Isotropic Phase Transition;81 1.5.3.3;2.3.3 Landau-de Gennes Expansion of the Free Energy;82 1.5.3.4;2.3.4 Phase Separations;83 1.5.3.5;2.3.5 Phase Diagrams in Solutions of Rigid Rod-Like Polymers;88 1.5.3.6;2.3.6 Smectic-Nematic-Isotropic Phase Separations;89 1.5.3.7;2.3.7 Conformation of a Polymer Dissolved in a Liquid Crystalline Phase;94 1.5.4;2.4 Phase Separation Dynamics;96 1.5.4.1;2.4.1 Kinetic Equations;98 1.5.4.2;2.4.2 Linearized Analysis of Spinodal Decomposition;100 1.5.4.3;2.4.3 Morphologies;106 1.5.5;2.5 Summary;111 1.5.6;Symbols;112 1.5.7;References;114 1.6;3: Amorphous Polymer Blends: Recent Developments;119 1.6.1;3.1 Introduction;119 1.6.2;3.2 Miscible Blend Dynamics and Length Scales of Mixing;120 1.6.3;3.3 Amorphous Biopolymer Blends;126 1.6.4;3.4 Conclusions;127 1.6.5;References;127 1.7;4: Phase Field Modeling on Polymer Crystallization and Phase Separation in Crystalline Polymer Blends;131 1.7.1;4.1 Phase Field Theory of Crystal Solidification of a Pure Substance;131 1.7.2;4.2 Phase Field Modeling on Morphology Development;132 1.7.3;4.3 Application of Phase Field Approach to Crystallization of a Homopolymer;140 1.7.4;4.4 Thermodynamics of Crystalline Polymer Solutions and Blends;147 1.7.4.1;4.4.1 Prigogine's Model;147 1.7.4.2;4.4.2 Flory Diluent Theory;148 1.7.5;4.5 Phase Diagrams of Crystalline Polymer Blends;150 1.7.5.1;4.5.1 Phase Diagram Calculation of a Crystalline/Amorphous Polymer Blend;150 1.7.5.2;4.5.2 Determination of Crystal-Amorphous Interaction in Crystalline/Amorphous Blends;153 1.7.5.3;4.5.3 Phase Diagram Calculation for Binary Crystalline Polymer Blends;155 1.7.5.4;4.5.4 Morphology Development in Relation to Phase Diagram of Crystalline/Amorphous Polymer Blends;157 1.7.5.5;4.5.5 Morphology Development in Relation to the Phase Diagram of Crystalline/Crystalline Polymer Blends;160 1.7.5.6;4.5.6 Phase Field Modeling on Phase Separation and Morphology Evolution;163 1.7.6;Symbols;166 1.7.7;References;167 1.8;5: Miscibility Criterion in Polymer Blends and its Determination;171 1.8.1;5.1 Introduction;171 1.8.2;5.2 Thermodynamics;172 1.8.3;5.3 Glass Transition of Polymer Blends;176 1.8.3.1;5.3.1