PlumX Metrics
Embed PlumX Metrics

Terminally grafted chain layers in oligomer-monomer solutions: Predictions from a density functional theory

Journal of Physical Chemistry B, ISSN: 1520-6106, Vol: 117, Issue: 35, Page: 10293-10303
2013
  • 11
    Citations
  • 0
    Usage
  • 9
    Captures
  • 0
    Mentions
  • 0
    Social Media
Metric Options:   Counts1 Year3 Year

Metrics Details

Article Description

The structure of grafted chain layers immersed in an explicit solvent consisting of chain molecules is studied using density functional theory. We consider bonded layers built of short grafted chains at a moderate grafting density. We investigate the grafted layers in contact with oligomeric solvents and oligomer-monomer solutions. The chain molecules are freely jointed spherical segments. The substrate is assumed to be inert with respect to the grafted chains. The mobile molecules interact with the surface via Lennard-Jones (9-3) potential. The interactions between mobile chains, monomers, as well as segments of the tethered chains are described by Lennard-Jones (12-6) potential. We discuss how the structure of the grafted chain layer depends on the length of mobile chains and strengths of grafted chain-oligomer, oligomer-substrate, oligomer-oligomer, and oligomer-monomer interactions. We study the impact of mixture composition on the height of the bonded layer for selected model systems. The results are consistent with previous experimental and simulation data. © 2013 American Chemical Society.

Bibliographic Details

Provide Feedback

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