Dynamics and transport in macromolecular networks : theory, modelling, and experiments
by
YAN, L-T.
Title
:
Dynamics and transport in macromolecular networks : theory, modelling, and experiments
Author
:
YAN, L-T.
ISBN
:
9783527839568
9783527839544
Publication Information
:
[S.l.] : WILEY VCH, 2024.
Physical Description
:
1 online resource
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 -- References -- 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 -- References -- 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 -- Acknowledgments -- Conflict of Interest -- References -- 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 -- References -- 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 -- References -- 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 -- Acknowledgments -- References -- 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 -- Acknowledgments -- References -- 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 -- Acknowledgments -- References -- 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 -- References -- 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 -- Acknowledgments -- References -- Index -- EULA.
Abstract
:
Dynamics and Transport in Macromolecular Networks Comprehensive knowledge on concepts and experimental advancement, as well as state-of-the-art computational tools and techniques for simulation and theory Dynamics and Transport in Macromolecular Networks: Theory, Modeling, and Experiments provides a unique introduction to the currently emerging, highly interdisciplinary field of those transport processes that exhibit various dynamic patterns and even anomalous behaviors of dynamics, investigating concepts and experimental advancement, as well as state-of-the-art computational tools and techniques for the simulation of macromolecular networks and the transport behavior in them. The detailed text begins with discussions on the structural organization of various macromolecular networks, then moves on to review and consolidate the latest research advances and state-of-the-art tools and techniques for the experimental and theoretical studies of the transport in macromolecular networks. In so doing, the text extracts and emphasizes common principles and research advancement from many different disciplines while providing up-to-date coverage of this new field of research. Written by highly experienced and internationally renowned specialists in various disciplines, such as polymer, soft matter, chemistry, biophysics, and more, Dynamics and Transport in Macromolecular Networks covers sample topics such as: * Modeling (visco)elasticity macromolecular and biomacromolecular networks, covering statistical and elastic models and permanent biomacromolecular networks * Focus on controlled degradation in modeling reactive hydrogels, covering mesoscale modeling of reactive polymer networks and modeling crosslinking due to hydrosilylation reaction * Dynamic bonds in associating polymer networks, covering segmental and chain dynamics and phase-separated aggregate dynamics * Direct observation of polymer reptation in entangled solutions and junction fluctuations in crosslinked networks, covering tube width fluctuations and dynamic fluctuations of crosslinks A much-needed overview of developments and scientific findings in the transport behaviors in macromolecular networks, Dynamics and Transport in Macromolecular Networks is a highly valuable resource for chemists, physicists, and other scientists and engineers working in fields related to macromolecular network systems, both theoretically and experimentally.
Local Note
:
John Wiley and Sons
Subject Term
:
Bioinformatics.
Genomics.
Bio-informatique.
Génomique.
Added Author
:
YAN, L-T.
Electronic Access
:
| Library | Material Type | Item Barcode | Shelf Number | [[missing key: search.ChildField.HOLDING]] | Status |
|---|
| Online Library | E-Book | 598772-1001 | QH324.2 .D963 2024 | | Wiley E-Kitap Koleksiyonu |