Multiscale Simulations of Barrier and Aging Properties of Polymer Nanocomposites

Abstract

This report describes the progress made under the auspices of the funded project. Specifically, developments have centered around four issues: 1. Models and simulations which address the impact of role of polymer-surface interfacial interactions upon the macroscopic properties; 2. Development of a new computational method capable of predicting the barrier properties of polymer membranes; 3. Development of a coarse-grained computational method to address the physical mechanisms underlying the barrier properties of polymer nanocomposite membranes; 4. Atomistic and quantum mechanical investigation of the transport properties of polymer membranes proposed for use in fuel cell applications.

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Document Details

Document Type
Technical Report
Publication Date
Oct 29, 2013
Accession Number
ADA606127

Entities

People

  • Venkat Ganesan

Organizations

  • University of Texas at Austin

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Advanced Materials
  • Biomedical And Dental Materials
  • Block Copolymers
  • Cells
  • Chemical Engineering
  • Chemistry
  • Computational Science
  • Computer Simulations
  • Copolymers
  • Engineering
  • Materials
  • Materials Science
  • Materials Testing
  • Molecular Dynamics
  • Multiscale Simulations
  • Physical Chemistry
  • Polymer-Matrix Nanocomposites

Readers

  • Computational Fluid Dynamics (CFD)
  • Defense Technology Research and Development.
  • Nanocomposite Materials Science

Technology Areas

  • Biotechnology
  • Quantum Computing