Clathrate-like structure of water around some nonelectrolytes in dilute solution as revealed by computer simulation and X-ray diffraction studies

Hideki Tanaka, Koichiro Nakanishi, Keiko Nishikawa

Research output: Contribution to journalReview article

12 Citations (Scopus)

Abstract

An X-ray diffraction measurement has been carried out for a 3.9 mol% aqueous solution of TBA (tertiary butylalcohol) with an energy-dispersive diffractometer. Constant temperature molecular dynamics calculation has also been made for an aqueous solution model simulating the above-mentioned mixture. Both results suggest the formation of a fairly stable clathrate-like structure of water around TBA molecules.

Original languageEnglish
Pages (from-to)119-126
Number of pages8
JournalJournal of Inclusion Phenomena
Volume2
Issue number1-2
DOIs
Publication statusPublished - Mar 1984
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Chemistry(all)

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