On independence of the solvation of interaction sites of a water molecule

Milan Předota, Arieh Ben-Naim, Ivo Nezbeda*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Scopus citations

Abstract

Computer simulations and two extended primitive models of water were used to investigate the probability of the formation of bonds between a hypothetical solute and water molecules in dependence on the number of activated solute's interaction sites. By studying these two models, a broad range of representations of water molecules on a simple level. The findings fully confirm the plausibility of the assumption of independence of the interaction sites and have thus important implications regarding the development of an analytical theory of water because they may considerably simplify various considerations.

Original languageEnglish
Pages (from-to)6446-6454
Number of pages9
JournalJournal of Chemical Physics
Volume118
Issue number14
DOIs
StatePublished - 8 Apr 2003

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