A molecular dynamics study of the breathing and deforming modes of the spherical ionic SDS and nonionic C12E8 micelles

Lin Wang, Kazushi Fujimoto, Noriyuki Yoshii, Susumu Okazaki

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

In order to investigate shape of the micelles and its thermal fluctuations, molecular dynamics calculations have been performed for spherical ionic sodium dodecyl sulfate (SDS) and nonionic octaethyleneglycol monododecyl ether (C12E8) micelles. New statistical functions suitable for extracting the fluctuations of the shape of the spherical micelles were defined using spherical harmonics and Legendre polynomials. The breathing and deforming modes of the SDS and C12E8 micelles were analyzed in detail based on these new functions. The elastic nature of the micelle core was also discussed. The present analysis gives a new molecular picture that the micelle shape is a superposition of the various kinds of breathing and deforming modes, and each mode has a specific relaxation time of the shape fluctuation.

Original languageEnglish
Article number034903
JournalJournal of Chemical Physics
Volume144
Issue number3
DOIs
Publication statusPublished - 2016 Jan 21
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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