Neutron and X-ray diffraction studies of aqueous rubidium bromide solutions

Ildikó Harsányi, Pál Jóvári, György Mészáros, László Pusztai, Philippe A. Bopp

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

A systematic study, combining neutron (Budapest Research Reactor, Hungary) and X-ray (Hasylab, Germany) diffraction, has been conducted on aqueous solutions of RbBr at two concentrations. Total structure factors (neutron and X-ray) have then been modeled by applying the Reverse Monte Carlo technique. Partial pair correlation functions, numbers of nearest neighbours and angle distributions characterizing the first coordination spheres have been evaluated from sets of particle coordinates obtained from the computer modeling. Based on these quantities, the network of water molecules appears to be increasingly distorted with increasing salt concentration. Generally, the hydration shells of the ions, particularly of the cation, are found to be rather diffuse.

Original languageEnglish
Pages (from-to)60-64
Number of pages5
JournalJournal of Molecular Liquids
Volume131-132
Issue numberSPEC. ISS.
DOIs
Publication statusPublished - Mar 15 2007

Keywords

  • Diffraction
  • Electrolyte solutions
  • Microscopic structure
  • Reverse Monte Carlo modeling

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry

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