Predicting Morphology of Polymers Using Mesotek+

Abstract

When new polymeric materials are designed, it is desirable if computational modeling can be used to predict microscale self assembly and physical properties. Field theoretic methods such as self-consistent field theory have been used to accurately model the self-assembly behavior for a variety of dense polymeric systems of high molecular weight. This theory, as developed by Glenn Fredrickson and coworkers, has been programmed into a C++ code called Mesotek+. This report presents a theory overview and an introduction on how to use the program. An input file is then produced for Mesotek+ to reproduce the phase behavior for an experimental system of poly (styrene-b-isoprene) in the solvent tetradecane (C-14).

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Document Details

Document Type
Technical Report
Publication Date
Feb 01, 2010
Accession Number
ADA518621

Entities

People

  • Erin M. Lennon
  • Jan Andzelm
  • Tanya L. Chantawansri

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Energy and Power Technologies
  • Weapons Technologies

DTIC Thesaurus Topics

  • Algorithms
  • Alkanes
  • Applied Mathematics
  • Block Copolymers
  • Copolymers
  • Equations
  • Isoprene
  • Materials
  • Mathematics
  • Mean Field Theory
  • Military Research
  • Molecular Dynamics
  • Molecular Weight
  • Physical Properties
  • Simulations
  • Three Dimensional
  • Two Dimensional

Readers

  • Computational Fluid Dynamics (CFD)
  • Computer Science.
  • Polymer Science and Technology