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Modeling hofmeister effects

  • University of Ljubljana

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

A two dimensional model of water, so-called Mercedes-Benz model, was used to study effects of the size of hydrophobic solute on the insertion thermodynamics in electrolyte solutions. The model was examined by the constant pressure Monte Carlo computer simulation. The results were compared with the experimental data for noble gasses and methane in water and electrolyte solution. The influence of different ions at infinite dilution on the free energy of transfer was explored. Qualitative agreement with the experimental results was obtained. The mechanism of Hofmeister effects was proposed.

Original languageEnglish
Pages (from-to)196-202
Number of pages7
JournalActa Chimica Slovenica
Volume56
Issue number1
StatePublished - 2009

Keywords

  • Hofmeister effect
  • Hydrophobic hydration
  • Mercedes-benz model
  • Monte carlo
  • Salting-out

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