English

The Chiral Dipolar Hard Sphere Model

Soft Condensed Matter 2010-09-08 v1

Abstract

A simple molecular model of chiral molecules is presented in this paper : the chiral dipolar hard sphere model. The discriminatory interaction between enantiomers is represented by electrostatic (or magnetic) dipoles-dipoles interactions : short ranged steric repulsion are represented by hard sphere potential and, in each molecule, two point dipoles are located inside the sphere. The model is described in detail and some of its elementary properties are given ; in particular, it is shown that the that the knowledge of only three multipole spherical components (namely : Q10Q_{10}, Q21Q_{21} and Q22Q_{22}) allows to compute all multipole spherical components of the model. Despite, the simplicity of the model, it is shown also that the energy landscape of the interaction between two enantiomers is quite rich, this renders systems of chiral dipolar hard sphere very interesting and complicated to study. Few preliminary Monte Carlo simulation results are also reported in the paper. Last, but not least, this paper is dedicated to Jean-Jacques Weis.

Keywords

Cite

@article{arxiv.0904.0672,
  title  = {The Chiral Dipolar Hard Sphere Model},
  author = {Martial Mazars},
  journal= {arXiv preprint arXiv:0904.0672},
  year   = {2010}
}

Comments

28 pages, 14 Figures, 3 Tables. To appear in Molecular Physics

R2 v1 2026-06-21T12:48:06.056Z