Nano- and Micromechanics of Polymer Blends and Composites

Preface

Content

Contributors

PART I POLYMERS

Chapter 1 Nano- and Micromechanics of Crystalline Polymers

1.1. Introduction

1.2. Tensile deformation of crystalline polymers

1.3. Cavitation in tensile deformation

1.4. Tensile deformation of polyethylene and polypropylene

1.5. Deformation micromechanisms in crystalline polymers

1.6. Molecular mechanisms at a nanometer scale

1.7. Dislocations in crystal plasticit

1.8. Generation of dislocations

1.9. Competition between crystal plasticity and cavitation

1.10. Micromechanics modeling in semicrystalline polymers

1.10.1. Microstructure and mechanical properties

1.10.2. The micromechanical models

1.10.3. Idealizing the microstructure of semicrystalline polymers

1.10.4. Elastic behavior prediction

References

Chapter 2 Modeling Mechanical Propertiesof Segmented Polyurethanes

2.1. Introduction

2.2. Predicting Young's modulus of segmented polyurethanes

2.2.1. Relationship between Young's modulus and formulation – experimental observations

2.2.2. Theory

2.2.3. Young's modulus: comparing theory with experiments

2.3. Modeling tensile stress-strain behavior

2.4. Linear viscoelasticity

2.5. Non-equilibrium factors and their influence on mechanical properties

2.6. Conclusions and Outlook

Acknowledgment

References

PART II NANOCOMPOSITES:INFLUENCE OF PREPARATION

Chapter 3 Nanoparticles/Polymer Composites:Fabrication and Mechanical Properties

3.1. Introduction

3.2. Dispersion-oriented manufacturing of nanocomposites

3.2.1. Conventional two-step manufacturing

3.2.2. Specific two-step manufacturing

3.2.3. One-step manufacturing

3.3. Dispersion and filler/matrix interaction-oriented manufacturing of nanocomposites

3.3.1. Two-step manufacturing in terms of in situ reactive compatibilization

3.3.2. One-step manufacturing in terms of in situ graft and crosslinking

3.4. Dispersion, filler/filler interaction and filler/matrix interactionoriented manufacturing of nanocomposites

3.5. Conclusions

Acknowledgements

References

Chapter 4 Rubber Nanocomposites: New Developments, New Opportunities

4.1. Introduction

4.2. General considerations on elastomeric composites

4.3. Spherical in situ generated reinforcing particles

4.4. Carbon nanotube-filled rubber composites

4.5. Conclusions

References

Chapter 5 Organoclay, Particulate and Nanofibril Reinforced Polymer-Polymer Composites: Manufacturing, Modeling and Applications

5.1. Introduction

5.2. Polypropylene/organoclay nanocomposites: experimental characterisation and modeling

5.2.1. Peculiarities of polymer/clay nanocomposites

5.2.2. Parametric study and associated properties of PP/organoclay nanocomposites

5.2.3. Evaluation of the experimental data by means of Taguchi and Pareto ANOVA methods

5.2.4. Materials, manufacturing and characterization of nano composites

5.2.5. Analytical models for composites

5.2.6. Comparisons of experimental results with the calculated values

5.3. The dispersion problem in the case of polymer-polymer nanocomposites

5.3.1. Manufacturing of nanofibrillar polymer-polymer composites

5.3.2. Nanofibrillar vs. microfibrillar polymer-polymer composites and their peculiarities

5.4. Directional, thermal and mechanical characterization of polymerpolymernanofibrillar composites

5.4.1. Directional state of NFC as revealed by wide-angle X-ray scattering

5.4.2. Thermal characterization of NFC

5.4.3. Mechanical properties of NFC

5.5. Potentials for application of nanofibrillar composites and the materials developed from neat nanofibrils

5.6. Conclusions and outlook

References

PART III NANO- AND MICROCOMPOSITES:INTERPHASE

Chapter 6 Viscoelasticity of Amorphous Polymer Nanocomposites with Individual Nanoparticles

6.1. Introduction

6.2. Brief physics of amorphous polymer matrices

6.2.1. Equilibrium structure of amorphous chains

6.2.2. Microscopic relaxation modes and segmental mobility

6.2.3. Entropy vs. energy driven mechanical response

6.3. Basic aspects of amorphous polymer nanocomposites

6.3.1. Structure of surface adsorbed chains

6.3.2. Segmental immobilization of chains in the presence of solid surfaces

6.4. Reinforcement of amorphous nanocomposite below and abovematrix Tg

6.5. Strain induced softening of amorphous polymer nanocomposites

6.6. Relaxation of chains in the presence of nanoparticles

6.7.`Conclusions and outlook

References

Chapter 7 Interphase Phenomena in Polymer Micro- and Nanocomposites

7.1. Introduction

7.2. Micro-scale interphase in polymer composites

7.3. Nano-scale interphase

7.4. Chain immobilization on the nano-scale

7.5. Characteristic length-scale in polymer matrix nanocomposites

7.6. Conclusions and outlook

References

PART IV NANO- AND MICROCOMPOSITES: CHARACTERIZATION

Chapter 8 Deformation Behavior of Nanocomposites Studied by X-Ray Scattering: Instrumentation and Methodology

8.1. Introduction

8.2. Scattering theory and materials structure

8.2.1. Relation between a CDF and IDFs

8.3. Analysis options derived from scattering theory

8.3.1. Completeness – a preliminary note

8.3.2. Analysis options

8.3.3. Parameters, functions and operations

8.4. The experiment

8.4.1. Principal design

8.4.2. Engineering solutions

8.4.3. Scattering data and its evaluation

8.5. Techniques: Dynamic vs. stretch-hold

8.6. Advanced goal: Identification of mechanisms

8.7. Observed promising effects from stretch-hold experiments

8.7.1. Orientation of nanofibrils in highly oriented polymer blends by means of USAXS

8.7.2. USAXS studies on undrawn and highly drawn PP/PET blends

8.8. Choosing experiments

8.8.1. Experiments with a macrobeam

8.8.2. Experiments with a microbeam

8.9. Conclusion and outlook

References

Chapter 9 Creep and Fatigue Behavior of Polymer Nanocomposites

9.1. Introduction

9.2. Generalities on the creep behavior of viscoelastic materials

9.3. Generalities on the fatigue resistance of polymeric materials

9.4. Creep behavior of polymer nanocomposites

9.4.1. Creep response of PNCs containing one-dimensional nanofillers

9.4.2. Creep response of PNCs containing two-dimensional nanofillers

9.4.3. Creep response of PNCs containing three-dimensional nanoparticles

9.5. Fatigue resistance of polymer nanocomposites

9.5.1. Fatigue behavior of PNCs containing one-dimensionalnanofillers

9.5.2. Fatigue behavior of PNCs containing two-dimensional nanofillers

9.5.3. Fatigue behavior of PNCs containing three-dimensional nanoparticles

9.6. Conclusions and outlook

References

Chapter 10 Deformation Mechanisms of Functionalized Carbon Nanotube Reinforced Polymer Nanocomposites

10.1. Introduction

10.2. Deformation characteristics

10.2.1. CNT/glassy thermoplastic nanocomposites

10.2.2. CNT/semicrystalline thermoplastic nanocomposites

10.2.3. CNT/epoxy nanocomposites

10.2.4. CNT/elastomer nanocomposites

10.3. Conclusions

References

Chapter 11 Fracture Properties and Mechanisms of Polyamide/Clay Nanocomposites

11.1. Introduction

11.2. Dispersion of clay in polymers

11.3. Crystallization behavior

11.4. Fracture properties and mechanisms

11.4.1. Improved toughness in polymer/clay nanocomposites

11.4.2. Brittleness of polymer/clay nanocomposites

11.4.3. Approaches to improve fracture toughness of polymer/claynanocomposites

11.5. Conclusions and outlook

References

Chapter 12 On the Toughness of "Nanomodified" Polymers and Their Traditional Polymer Composites

12.1. Introduction

12.2. Toughness assessment

12.3. Nanomodified thermoplastics

12.3.1. Amorphous polymers

12.3.2. Semicrystalline polymers

12.4. Nanomodified thermosets

12.4.1. (Neat) Resins

12.4.2. Toughened and hybrid resins

12.5. Nanomodified traditional composites

12.5.1. Thermoplastic matrices

12.5.2. Thermoset matrices

12.6. Conclusions and outlook

References

Chapter 13 Micromechanics of Polymer Blends: Microhardness of Polymer Systems Containing a Soft Componentand/or Phase

13.1. Introduction

13.2. The peculiarity of polymer systems containing a soft component and/or phase

13.3. Comparison between measured and computed microhardness values for various systems

13.3.1. Two-component multiphase systems comprising soft phase(s) (blends of semicrystalline homopolymers)

13.3.2. One-component multiphase systems containing soft phase(s) (polyblock copolymers)

13.3.3. Two-component one-phase systems (miscible blends of amorphous polymers)

13.3.4. Two-component two-phase amorphous systems containing a soft phase

13.3.5. One-component two-phase systems (semicrystalline polymers with Tg below room temperature)

13.4. Main factors determining the microhardness of polymer systems containing a soft component and/or phase

13.4.1. Importance of the ratio hard/soft components (or phases)

13.4.2. Crystalline or amorphous solids

13.4.3. Copolymers vs. polymer blends

13.4.4. New data on the relationship between H and Tg of amorphous polymers

13.4.5. Modified additivity law for systems containing soft component and/or phase

13.5. Microhardness on the interphase boundaries in polymer blends and composites and doubly injection molding processing

13.5.1. Microhardness on the interphase boundaries in polymer blends

13.5.2. Microhardness on the interphase boundaries in polymers after double injection molding processing

13.6. Conclusions and outlook

References

PART V NANOCOMPOSITES: MODELING

Chapter 14 Some Monte Carlo Simulations on Nanoparticle Reinforcement of Elastomers

14.1. Introduction

14.2. Description of simulations

14.2.1. Rotational isomeric state theory for conformation-dependent properties

14.2.2. Distribution functions

14.2.3. Applications to unfilled elastomers

14.2.4. Applications to filled elastomers

14.3. Spherical particles

14.3.1. Particle sizes, shapes, concentrations, and arrangements

14.3.2. Distributions of chain end-to-end distances

14.3.3. Stress-strain isotherms

14.3.4. Effects of arbitrary changes in the distributions

14.3.5. Some preliminary results on physisorption

14.3.6. Relevance of cross linking in solution

14.3.7. Detailed descriptions of conformational changes during chain extension

14.4. Ellipsoidal particles

14.4.1. General features

14.4.2. Oblate ellipsoids

14.5. Aggregated particles

14.5.1. Real systems

14.5.2. Types of aggregates for modeling

14.5.3. Deformabilities of aggregates

14.6. Potential refinements

14.7. Conclusions

References

Chapter 15 Modeling of Polymer Clay Nanocomposites for a Multiscale Approach

15.1. Introduction

15.2. Sequential multiscale modeling

15.3. Representative volume element

15.3.1. Effective elastic material properties

15.3.2. Statistical ensemble

15.3.3. Periodic boundary conditions

15.4. Generating RVE geometry

15.4.1. Number of platelets

15.4.2. Generation of platelet configurations

15.5. Periodic finite element mesh

15.6. Numerical solution process

15.6.1. Finite element analysis of boundary value problem

15.6.2. Ensemble averaged elastic properties

15.6.3. Automation

15.7. Elastic RVE numerical results

15.7.1. Fully exfoliated straight platelets

15.7.2. Effect of platelet orientation

15.7.3. Curved platelets

15.7.4. Multi-layer stacks of intercalated platelets

15.8. Conclusions

References

List of Acknowledgements

Author Index

Subject Index