Study of hydrophillic interactions between polyatomic sheets in water

Research output: Contribution to journalArticle

1 Citation (Scopus)

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
Pages (from-to)377-385
Number of pages9
JournalFluid Phase Equilibria
Volume144
Issue number1-2
Publication statusPublished - 1998
Externally publishedYes

Fingerprint

Water
water
interactions
Biomolecules
Integral equations
Vacuum
intermolecular forces
Atoms
integral equations
vacuum
atoms
energy

Keywords

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

ASJC Scopus subject areas

  • Fluid Flow and Transfer Processes
  • Physical and Theoretical Chemistry

Cite this

Study of hydrophillic interactions between polyatomic sheets in water. / Koga, Kenichiro; Zeng, X. C.; Tanaka, Hideki.

In: Fluid Phase Equilibria, Vol. 144, No. 1-2, 1998, p. 377-385.

Research output: Contribution to journalArticle

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