Local structure of various hydrogen bonded liquids: Voronoi polyhedra analysis of water, methanol, and HF

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Abstract

The local structure of various hydrogen bonded liquids such as water, methanol and HF was determined using the Voronoi polyhedra (VP) analysis. The VP volume distribution of the three liquids was compared. Liquid HF showed a large density fluctuations in contrast to water and methanol. The size of the vacancies in liquid HF revealed a number of voids large enough to incorporate an extra HF molecule and commensurate to the number of the molecules in the systems. The shape of the VP reflects the arrangement of the nearest neighbors of the molecules.

Original languageEnglish
Pages (from-to)9113-9121
Number of pages9
JournalJournal of Chemical Physics
Volume113
Issue number20
DOIs
Publication statusPublished - Nov 1 2000

ASJC Scopus subject areas

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

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