English

Microstructure of neat alcohols

Chemical Physics 2009-11-13 v1

Abstract

Formation of microstructure in homogeneous associated liquids is analysed through the density-density pair correlation functions, both in direct and reciprocal space, as well as an effective local one-body density function. This is illustrated through a molecular dynamics study of two neat alcohols, namely methanol and \emph{tert}-butanol, which have a rich microstructure: chain-like molecular association for the former and micelle-like for the latter. The relation to hydrogen bonding interaction is demonstrated. The apparent failure to find microstructure in water -a stronger hydrogen bonding liquid- with the same tools, is discussed.

Keywords

Cite

@article{arxiv.physics/0703246,
  title  = {Microstructure of neat alcohols},
  author = {Aurelien Perera and Franjo Sokolic and Larisa Zoranic},
  journal= {arXiv preprint arXiv:physics/0703246},
  year   = {2009}
}
R2 v1 2026-07-22T19:16:16.523Z