Designing Polymer Blends Through Modeling and Simulation

Abstract

Using theoretical models and computer simulations, we determined guidelines for promoting the uniform dispersion (exfoliation) of clay sheets in polymer melts. In addition, we determined how the coupling between phase separation and wetting interactions in polymeric composites effects the structural evolution and phase behavior of the material. We also developed a mean field theory for mixtures of soft, flexible chains and hard spheres. Applied to diblock/nanoparticle mixtures, and theory predicts new ordered phase, where particles and diblocks self-assemble into spatially periodic structures. The method can be applied to other copolymer/particle mixtures and used to design novel composite architectures.

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Document Details

Document Type
Technical Report
Publication Date
Jun 29, 2001
Accession Number
ADA392749

Entities

People

  • Anna C. Balazs
  • David Jasnow

Organizations

  • University of Pittsburgh

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Block Copolymers
  • Composite Materials
  • Computer Simulations
  • Copolymers
  • Density Functional Theory
  • Macromolecules
  • Materials
  • Mean Field Theory
  • Mixtures
  • Nanoparticles
  • Particles
  • Phase
  • Phase Diagrams
  • Phase Separation
  • Polymers
  • Simulations

Readers

  • Electromagnetic Wave Scattering and Antenna Radiation Engineering
  • Nanocomposite Materials Science
  • Polymer Science and Technology

Technology Areas

  • Biotechnology
  • Microelectronics