English

Large scale molecular dynamics simulation of self-assembly processes in short and long chain cationic surfactants

Soft Condensed Matter 2017-09-13 v1 comp-gas Cellular Automata and Lattice Gases Chemical Physics

Abstract

We report on an investigation of the structural and dynamical properties of n-nonyltrimethylammonium chloride (C9TAC) and erucyl bis [2-hydroxyethyl] methylammonium chloride (EMAC) micelles in aqueous solution. A fully atomistic description was used, and the time evolution was computed using molecular dynamics.

Keywords

Cite

@article{arxiv.cond-mat/9911013,
  title  = {Large scale molecular dynamics simulation of self-assembly processes in short and long chain cationic surfactants},
  author = {J. -B. Maillet and V. Lachet and P. V. Coveney},
  journal= {arXiv preprint arXiv:cond-mat/9911013},
  year   = {2017}
}

Comments

44 pages (18 figures), high resolution figures available on request. Accepted for publication in Phys. Chem. Chem. Phys