Local polarity excess at the interface of water with a nonpolar solute

Allan D. Friesen, Dmitry Matyushov

Research output: Contribution to journalArticle

22 Citations (Scopus)

Abstract

We present the results of numerical simulations of the electrostatics and dynamics of water surrounding Kihara solutes described by a Lennard-Jones layer at the surface of a hard-sphere core. The dipolar response of the hydration layer peaks at the solute surface, significantly exceeding bulk water in polarity. This effect can be observed by atomic force microscopy. The dynamics of water shells are slow close to the surface, but become faster with the growing layer thickness and approach the bulk limit for layers 1 nm thick. Slowing of the inner hydration shells strongly depends on the strength of solute-solvent attraction, offering a possibility of highly heterogeneous interfacial dynamics.

Original languageEnglish (US)
Pages (from-to)256-261
Number of pages6
JournalChemical Physics Letters
Volume511
Issue number4-6
DOIs
StatePublished - Aug 5 2011

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polarity
solutes
Hydration
Water
water
hydration
Electrostatics
Atomic force microscopy
attraction
Computer simulation
atomic force microscopy
electrostatics
simulation

ASJC Scopus subject areas

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

Cite this

Local polarity excess at the interface of water with a nonpolar solute. / Friesen, Allan D.; Matyushov, Dmitry.

In: Chemical Physics Letters, Vol. 511, No. 4-6, 05.08.2011, p. 256-261.

Research output: Contribution to journalArticle

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