Local order and dynamics in supercooled water: A study by IR spectroscopy and molecular dynamic simulations

Alexander Yu Zasetsky, Alexei F. Khalizov, James J. Sloan

Research output: Contribution to journalArticlepeer-review

24 Scopus citations

Abstract

The thermodynamics and kinetics of water on cooling was investigated. It was observed that the micron-sized water droplets in a cryogenic flow tube were measured by IR spectroscopy. It was also observed that there was a increase of about 30% in the fraction of low density domains in water on cooling over the temperature range between 300 and 240 K. It was found that the dielectric relaxation times obtained from MD simulations showed that reorientations of low density molecules were slower which lead to the longer persistent of the low density domains.

Original languageEnglish (US)
Pages (from-to)6941-6947
Number of pages7
JournalJournal of Chemical Physics
Volume121
Issue number14
DOIs
StatePublished - Oct 8 2004
Externally publishedYes

All Science Journal Classification (ASJC) codes

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

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