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1D Classical Density Functional Theory of a Tethered Polymer Layer

Soft Condensed Matter 2016-12-02 v1 Materials Science

Abstract

A simple application of classical density functional theory is derived and applied to a system of polymers grafted to a plane. The system is assumed to have symmetry in directions parallel to the grafting plane hence it being a '1-dimensional' problem. A quick introduction to using propagators in the theory of chains in the presence of external fields and a numerical algorithm for solving the modified diffusion (or Fokker-Planck) equation are presented. Density profiles are found for hard-sphere chains which agree with results in the literature (see Murat,.., Milner,.., Muhukumar and others) and align with physical expectations of brush formation due to excluded volume. The linear scaling h(σ)1/3Nh \approx (\sigma)^{1/3} N, of brush height with polymerisation NN, is reproduced here.

Keywords

Cite

@article{arxiv.1612.00311,
  title  = {1D Classical Density Functional Theory of a Tethered Polymer Layer},
  author = {Luke Kristopher Davis},
  journal= {arXiv preprint arXiv:1612.00311},
  year   = {2016}
}

Comments

16 pages

R2 v1 2026-06-22T17:10:46.803Z