Anisotropic molecular clustering in liquid ethanol induced by a charged fully hydroxylated silicon dioxide (SiO2) surface

Yoshimichi Andoh, Kenji Kurahashi, Hiroshi Sakuma, Kenji Yasuoka, Kazue Kurihara

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

A series of NVT constant MD calculations (T = 298.15 K) show that liquid ethanol molecules on a charged hydroxylated silicon dioxide (SiO2) surface form molecular clusters via hydrogen bonds with an anisotropic shape along the axis normal to the solid surface. The features of ethanol clusters induced by positively charged SiO2 surface agree well with those of ethanol surface macroclusters.

Original languageEnglish
Pages (from-to)253-257
Number of pages5
JournalChemical Physics Letters
Volume448
Issue number4-6
DOIs
Publication statusPublished - 2007 Nov 14

ASJC Scopus subject areas

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

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