PlumX Metrics
Embed PlumX Metrics

Comparison of random-walk density functional theory to simulation for bead-spring homopolymer melts

Journal of Chemical Physics, ISSN: 0021-9606, Vol: 121, Issue: 6, Page: 2788-2797
2004
  • 12
    Citations
  • 0
    Usage
  • 16
    Captures
  • 0
    Mentions
  • 0
    Social Media
Metric Options:   Counts1 Year3 Year

Metrics Details

  • Citations
    12
    • Citation Indexes
      12
  • Captures
    16

Article Description

The accuracy of one particular flavor of density functional theory (DFT) for polymers, a random walk version of the CMS-DFT for homopolymers, was evaluated. In the CMS-DFT, the polymers were modeled as chains of spherical interaction sites interacting with either hard core or Lennard-Jones potentials. It was observed that even without the empirical corrections, the density profiles predicted by RWCMS-DFT with self-consistent PRISM/MC theory input were in reasonable agreement with simulation. It was suggested that RWCMS-DFT being investigated has the advantage of to be fast, solvable in three dimensions, and requires no equation of state information.

Provide Feedback

Have ideas for a new metric? Would you like to see something else here?Let us know