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Theory and Modeling of Polymer Nanocomposites

  • Book
  • © 2021

Overview

Editors:
  1. Valeriy V. Ginzburg

    1. Dow Chemical Company (United States), Midland, USA

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    You can also search for this editor in PubMed   Google Scholar

  2. Lisa M. Hall

    1. The Ohio State University, Columbus, USA

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    You can also search for this editor in PubMed   Google Scholar

  • Provides a roadmap for researchers designing new polymer nanocomposites
  • Presents best practices for predicting and tuning special properties of potential new materials
  • Combines modeling methodology with detailed examples for broad appeal
  • Brings together academic and industry perspectives

Part of the book series: Springer Series in Materials Science (SSMATERIALS, volume 310)

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Table of contents (11 chapters)

  1. Front Matter

    Pages i-xix
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  2. Polymer Reference Interaction Site Model (PRISM) Theory and Molecular Simulation Studies of Polymer Nanocomposites

    • Arthi Jayaraman
    Pages 1-22

  3. Density Functional Theory-Based Modeling of Polymer Nanocomposites

    • Valeriy V. Ginzburg
    Pages 23-44

  4. Coarse-Grained Modeling of Polymer Nanocomposites: Field-Theoretic Simulations

    • Jason P. Koski, Huikuan Chao, Christian Tabedzki, Robert A. Riggleman
    Pages 45-79

  5. Polymer Dynamics in Polymer-Nanoparticle Interface

    • Argyrios V. Karatrantos, Nigel Clarke
    Pages 81-100

  6. The Interfacial Layers Around Nanoparticle and Its Impact on Structural Relaxation and Glass Transition in Model Polymer Nanocomposites

    • Wengang Zhang, Hamed Emamy, Fernando Vargas-Lara, Beatriz A. Pazmiño Betancourt, Dong Meng, Francis W. Starr et al.
    Pages 101-131

  7. Multiscale Modeling Examples: New Polyelectrolyte Nanocomposite Membranes for Perspective Fuel Cells and Flow Batteries

    • Soumyadipta Sengupta, Alexey V. Lyulin, Georgios Kritikos, Konstantinos Karatasos, Arun Venkatnathan, Rakesh Pant et al.
    Pages 133-177

  8. Explorations into the Mechanics of Hairy Nanoparticle Assemblies with Molecular Dynamics

    • Nitin K. Hansoge, Sinan Keten
    Pages 179-202

  9. Predicting Mechanical Properties Using Continuum Mechanics-Based Approach: Micro-mechanics and Finite Element Analysis

    • Pavan K. Valavala, Gregory M. Odegard
    Pages 203-233

  10. Modeling the Thermal Conductivity of Polymer-Inorganic Nanocomposites

    • Valeriy V. Ginzburg, Jian Yang
    Pages 235-257

  11. Predicting the Optical and Electrical Properties of Polymer Nanocomposites

    • Michael J. A. Hore
    Pages 259-280

  12. Data-Driven Multiscale Science for Tire Compounding: Methods and Future Directions

    • Hongyi Xu, Richard J. Sheridan, L. Catherine Brinson, Wei Chen, Bing Jiang, George Papakonstantopoulos et al.
    Pages 281-312

  13. Back Matter

    Pages 313-316
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Keywords

About this book

This edited volume brings together the state of the art in polymer nanocomposite theory and modeling, creating a roadmap for scientists and engineers seeking to design new advanced materials. The book opens with a review of molecular and mesoscale models predicting equilibrium and non-equilibrium nanoscale structure of hybrid materials as a function of composition and, especially, filler types. Subsequent chapters cover the methods and analyses used for describing the dynamics of nanocomposites and their mechanical and physical properties. Dedicated chapters present best practices for predicting materials properties of practical interest, including thermal and electrical conductivity, optical properties, barrier properties, and flammability. Each chapter is written by leading academic and industrial scientists working in each respective sub-field. The overview of modeling methodology combined with detailed examples of property predictions for specific systems will make this book usefulfor academic and industrial practitioners alike.

Editors and Affiliations

  • Dow Chemical Company (United States), Midland, USA

    Valeriy V. Ginzburg

  • The Ohio State University, Columbus, USA

    Lisa M. Hall

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