Study of hydrophillic interactions between polyatomic sheets in water

Kenichiro Koga, X. C. Zeng, Hideki Tanaka

Research output: Contribution to journalArticle

1 Scopus citations

Abstract

To further understanding hydrophillic interactions of complex biomolecules at the microscopic level, an idealized polyatomic model - a square polyatomic sheet - is devised, which consists of positive and negative charges on atoms. In the framework of the extended RISM integral equation theory, we calculate the solvent-induced interactions between pairs of the hydrophillic polyatomic sheets in water. We find the total hydrophillic interaction (mean force) between two sheets in water is directly against the intermolecular force between these two sheets in vacuum. A further analysis reveals that the solvent-induced interaction is mainly attributed to the sheets-solvent interaction energy.

Original languageEnglish (US)
Pages (from-to)377-385
Number of pages9
JournalFluid Phase Equilibria
Volume144
Issue number1-2
DOIs
StatePublished - 1998

Keywords

  • Biomolecules
  • Hydrophillic interaction
  • Potential of mean force
  • RISM integral equation
  • Solvent-induced interaction
  • Water

ASJC Scopus subject areas

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

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