On the structure of high-density water at constant temperature

B. Montgomery Pettitt, Daniel F. Calef

Research output: Contribution to journalArticlepeer-review

16 Scopus citations


Calculations of the site-site correlation functions for a model of water were performed as a function of density (or pressure) at fixed temperature. These calculations are discussed and compared to neutron-scattering data. The structure of liquid water at high pressure is consistent with a substantially distorted hydrogen-bonding network. It is found that, unlike MeOH, water cannot easily accommodate structures associated with directional attractive forces in the region of several kilobars of pressure.

Original languageEnglish (US)
Pages (from-to)1541-1545
Number of pages5
JournalJournal of physical chemistry
Issue number6
StatePublished - 1987
Externally publishedYes

ASJC Scopus subject areas

  • General Engineering
  • Physical and Theoretical Chemistry


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