Molecular Dynamics of Additives in Polymers

Description

Cover Half Title New Concepts in Polymer Science Molecular Dynamics of Additives in Polymers Copyright Contents Dedication Preface 1. Introduction. Basic concepts and parameters References 2. Theories and Equations 2.1 Empirical Equations 2.2 Hydrodynamic Model 2.3 Activation Theories 2.3.1 Kinetic Theory of Liquids 2.3.2 Transition State Theory 2.3.3 Other Theories 2.4 Free Volume Models 2.4.1 Theory of Cohen and Turnbull /31/ 2.4.2 Bueche Theory 2.5 “Hybrid” Model 2.6 Some Important Thermodynamic Equations 2.7 Models for Motional Scale References 3. Experimental Techniques 3.1 Spin Probe Technique 3.1.1 the Ways of Estimation of Translational Mobility and Local Spin Probe Concentrations 3.2 Electrophysical Techniques 3.2.1 Analysis of Dielectric Losses 3.2.2 Thermstimulated Depolarization Technique 3.2.3 Electrical Conductivity Investigations 3.3 Evaluation of Diffusion Constants by Sorption-Desorption Kinetic Data 3.4 Other Techniques References 4. Molecular Structure and Motional Frequencies of Additives 4.1 Rotational Frequencies 4.2 Translational Frequencies 4.3 Ratio of Rotational and Translational Frequencies 4.4 Scale of Molecular Motions 4.4.1 Rotational Dynamics 4.4.2 Translational Diffusion References 5. Temperature Effects and Energetics of Molecular Dynamics 5.1 Small-Scale Rotational Dynamics 5.2 Large-Scale Rotational Dynamics 5.3 Translational Dynamics 5.4 Apparent and True Values of Activation Energy References 6. Pressure Effect and Activation Volumes 6.1 Pressure Dependences of Molecular Motion 6.2 Activation Volumes 6.2.1 High Frequency Rotational Dynamics 6.2.2 Low Frequency Rotational Dynamics 6.2.3 Activation Volumes for Translational Dynamics 6.3 The Ratio Between Activation Parameters References 7. Additive Motion and Macromolecular Dynamics 7.1 Segmental Dynamics of Macromolecules 7.1.1 Peculiarities of Temperature Dependences of Frequencies of α- and β-processes 7.1.2 Volume and Pressure Effects in Segmental Dynamics 7.1.3 Differences in Mechanisms of Relaxation Processes 7.2 Correlations Between Segmental and Particle Dynamics 7.3 Cases of Correlation Break: Porous Systems 7.4 Comparison of Dynamic Behavior of Particles in Polymers and Liquids References 8. Effect of Polymer Structure and Physical State 8.1 Effect of Chemical Structure 8.2 Transitions in Polymers 8.3 Crystalline Polymers 8.4 Mechanical Deformations References 9. Dynamics of Water in Polymers 9.1 Phase Equilibria of Polymer-Water Systems 9.2 Concentration Dependence of the Coefficients of Diffusion 9.3 Effect of the Nature of Polymers on the Translational Mobility of the Molecules of Water 9.4 Kinetics of the Sorption of Vapours and the Swelling of Polymers in Water 9.5 Kinetics of Swelling, Complicated by Chemical Reaction References Subject index