Dynamics and transport in macromolecular networks : theory, modelling, and experiments / Li-Tang Yan, editors.

Format:

Book

Contributor:

YAN, L-T.

Wiley InterScience (Online service)

Language:

English

Subjects (All):

Bioinformatics.

Genomics.

Physical Description:

1 online resource

Place of Publication:

[S.l.] : WILEY VCH, 2024.

Contents:

Cover

Title Page

Copyright

Contents

Preface

Chapter 1 Modeling (Visco)elasticity of Macromolecular and Biomacromolecular Networks

1.1 Permanent Macromolecular Networks

1.1.1 Mechanic Properties of a Single Polymer Chain

1.1.2 Statistical Models

1.1.3 Phenomenological Models

1.2 Permanent Biomacromolecular Networks

1.2.1 Elastic Models

1.2.2 Nonlinear Elasticity, Stability, and Normal Stress

1.3 Transient Macromolecular/Biomacromolecular Networks

1.3.1 Theoretical Framework

1.3.2 Applications

1.4 Outlooks

References

Chapter 2 Modeling Reactive Hydrogels: Focus on Controlled Degradation

2.1 Introduction

2.2 Mesoscale Modeling of Reactive Polymer Networks

2.2.1 Introducing Dissipative Particle Dynamics Approach for Reactive Polymer Networks

2.2.2 Addressing Unphysical Crossing of Polymer Bonds in DPD Along with Reactions

2.2.3 Modeling Cross-linking Due to Hydrosilylation Reaction

2.2.4 Mesoscale Modeling of Degradation and Erosion

2.3 Continuum Modeling of Reactive Hydrogels

2.3.1 Modeling Chemo- and Photo-Responsive Reactive Hydrogels

2.3.2 Continuum Modeling of Degradation of Polymer Network

2.4 Conclusions

Acknowledgments

Chapter 3 Dynamic Bonds in Associating Polymer Networks

3.1 Introduction of Dynamic Bonds

3.1.1 Dynamic Covalent Bonds

3.1.2 Dynamic Noncovalent Bonds

3.2 Physical Insight of Dynamic Bonds

3.2.1 Segmental and Chain Dynamics

3.2.2 Phase-Separated Aggregate Dynamics

3.3 Properties and Applications

3.3.1 Gas Separation

3.3.2 Adhesives and Additives

3.3.3 3D Printing

3.3.4 Polymer Electrolytes

3.4 Conclusion

Chapter 4 Direct Observation of Polymer Reptation in Entangled Solutions and Junction Fluctuations in Cross-linked Networks

4.1 Introduction.

4.2 Reptation in Entangled Solutions

4.2.1 Direct Confirmation of the Reptation Model

4.2.2 Tube Width Fluctuations

4.2.3 Dependence of Tube Width on Chain Position

4.2.4 Tube Width under Shear

4.2.5 Interactions Between Reptating Polymer Chains

4.3 Dynamic Fluctuations of Cross-links

4.3.1 Dynamics Probed by Neutron Scattering

4.3.2 Dynamics Probed by Direct Imaging

4.4 Conclusion

Conflict of Interest

Chapter 5 Recent Progress of Hydrogels in Fabrication of Meniscus Scaffolds

5.1 Introduction

5.2 Microstructure and Mechanical Properties of Meniscus

5.2.1 Meniscus Anatomy, Biochemical Content, and Cells

5.2.2 Biomechanical Properties of the Meniscus

5.3 Biomaterial Requirements for Constructing Meniscal Scaffolds

5.4 Hydrogel-Based Meniscus Scaffolds

5.4.1 Providing Matrix for Cell Growth and Biomacromolecules Delivery

5.4.1.1 Injectable Hydrogel-Based Meniscus Tissue-Engineering Scaffolds

5.4.1.2 High Strength and Biodegradable Hydrogel-Based Meniscus Scaffolds

5.4.1.3 3D-Printed Polymer/Hydrogel Composite Tissue-Engineering Scaffolds

5.4.2 Providing Load-Bearing Capability

5.4.2.1 Polyvinyl Alcohol (PVA) Hydrogel-Based Meniscus Scaffolds

5.4.2.2 Poly(N-acryloyl glycinamide) (PNAGA) Hydrogel-Based Meniscus Scaffolds

5.4.2.3 Poly(N-acryloylsemicarbazide) (PNASC) Hydrogel-Based Meniscus Scaffold

5.4.2.4 Other Systems

5.5 Mimicking Microstructure: The Key to Constructing the Next-Generation Meniscus Scaffolds

5.6 Conclusion

Chapter 6 Strong, Tough, and Fast-Recovery Hydrogels

6.1 Current Progress on Strong and Tough Hydrogels

6.2 Polymer-Supramolecular Double-Network Hydrogels

6.3 Hybrid Networks with Peptide-Metal Complexes

6.4 Hydrogels Cross-Linked with Hierarchically Assembled Peptide Structures.

6.5 Outlook

Chapter 7 Diffusio-Mechanical Theory of Polymer Network Swelling

7.1 Introduction

7.2 Swelling Model

7.2.1 General Theoretical Framework

7.2.1.1 Spherical Gel

7.2.1.2 Cylindrical Gel

7.2.1.3 Disk-Shaped Gel

7.2.2 Diffusio-Mechanical Model for Small Deformation

7.2.2.1 Spherical Gel

7.2.2.2 Cylindrical Gel

7.2.2.3 Disk-Shaped Gel

7.3 Results

7.4 Perspective

7.5 Conclusion

Chapter 8 Theoretical and Computational Perspective on Hopping Diffusion of Nanoparticles in Cross-linked Polymer Networks

8.1 Introduction

8.2 2010s' Theories of Nanoparticle Hopping Diffusion

8.2.1 Scaling Theory by Cai, Paniukov, and Rubinstein

8.2.1.1 Confinement by Network as Attachment to Virtual Chains

8.2.1.2 Hopping Diffusion as Successive Individual Hopping Events

8.2.1.3 Beyond Homogeneous, Entanglement-Free, and Dry Cross-linked Networks

8.2.2 Microscopic Theory by Dell and Schweizer

8.3 Recent Computational and Theoretical Work

8.3.1 Evaluating Cai-Paniukov-Rubinstein and Dell-Schweizer Theories by Simulations

8.3.2 Exploring New Aspects of Cross-linked Networks - Stiffness and Geometry

8.4 Open Questions and Future Research Directions

8.4.1 Network Strands with Nonlinear Architectures

8.4.2 Sticky and Polymer-Tethered Nanoparticles

8.4.3 Nanoparticles with Anisotropic Shape

8.4.4 Active Nanoparticles - Nonequilibrium Effects

8.5 Concluding Remarks

Chapter 9 Molecular Dynamics Simulations of the Network Strand Dynamics and Nanoparticle Diffusion in Elastomers

9.1 Introduction

9.2 Structures and Dynamics of Model Elastomer Networks

9.2.1 Randomly Cross-linked Elastomer Networks

9.2.1.1 Network Models and Simulation Methodology

9.2.1.2 Network Topology.

9.2.1.3 Effect of Cross-link Density on Network Dynamics

9.2.1.4 Effect of Cross-link Distribution on Network Dynamics

9.2.1.5 Effect of Temperature on Network Dynamics

9.2.2 End-linked Elastomer Networks

9.2.2.1 Network Models and Simulation Methodology

9.2.2.2 Network Topology

9.2.2.3 Network Dynamics

9.3 Diffusion Dynamics of Nanoparticles in Elastomers: Melts and Networks

9.3.1 Diffusion of Nanoparticles in Elastomer Melts

9.3.1.1 Models and Simulation Methodology

9.3.1.2 Size Effect on Nanoparticle Diffusion

9.3.1.3 Effect of Surface Grating on Nanoparticle Diffusion

9.3.1.4 Nanoparticle Diffusion in Bottlebrush Elastomers

9.3.2 Diffusion of Nanoparticles in Elastomer Networks

9.3.2.1 Models and Simulation Methodology

9.3.2.2 Size Effect on Nanoparticle Diffusion

9.3.2.3 Nanoparticle Diffusion in Attractive Networks

9.4 Conclusions

Chapter 10 Experimental and Theoretical Studies of Transport of Nanoparticles in Mucosal Tissues

10.1 Introduction

10.2 Enhancing Diffusivity of Deformable Particles to Overcome Mucus Barriers Via Adjusting Their Rigidity

10.2.1 The Preparation of the Hybrid NPs with Various Rigidities

10.2.2 The Diffusivity of Hybrid NPs with Different Rigidity in Mucus

10.2.3 The Interaction Between NPs with Different Rigidity and Mucus Network

10.2.4 The Theoretical Model to Describe the Diffusion Behavior of Deformable Nanoparticles in Adhesion Network

10.2.4.1 Shape Distribution of NPs

10.2.4.2 Diffusion Model

10.2.5 Summary

10.3 The Effect of the Shape on the Diffusivity of NPs in Mucus

10.3.1 The Diffusion Behaviors of NPs with Various Shapes in Mucus

10.3.2 The Diffusion Mechanisms of NPs with Different Shape in Biological Hydrogels.

10.3.3 Theoretical Model of Diffusion of Rod-Like Nanoparticles in Polymer Networks

10.3.3.1 Nonadhesive Diffusion Model

10.3.3.2 Adhesive Diffusion Model

10.3.4 The Effect of the Surface Polyethylene Glycols (PEGs) Distribution on the Diffusivity of Rod-Like NPs

10.3.5 Summary

10.4 Conclusion and Outlook

Chapter 11 Physical Attributes of Nanoparticle Transport in Macromolecular Networks: Flexibility, Topology, and Entropy

11.1 Introduction

11.2 Effects of the Chain Flexibility of Strands

11.2.1 Dynamical Heterogeneity of a Semiflexible Network

11.2.2 Nonmonotonic Feature

11.2.3 Validation by MC Simulations and Experimental Data

11.3 Effects of Network Topology

11.3.1 Analytical Model for Free Energy Landscape

11.3.2 Network Topology and Free Energy Landscape

11.3.3 Topology-Dictated Scaling Regimes of Free Energy Change

11.3.4 Topology-Mediated Dynamical Regimes

11.4 Summary and Outlook

Index

EULA.

Notes:

Electronic reproduction. Hoboken, N.J. Available via World Wide Web.

ISBN:

9783527839568

3527839569

9783527839544

3527839542

Publisher Number:

90101073777

Access Restriction:

Restricted for use by site license.