On the structure of high-density water at constant temperature

Bernard Pettitt, Daniel F. Calef

Research output: Contribution to journalArticle

16 Citations (Scopus)

Abstract

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
Volume91
Issue number6
StatePublished - 1987
Externally publishedYes

Fingerprint

Water
water
Neutron scattering
Temperature
temperature
Hydrogen bonds
neutron scattering
Liquids
hydrogen
liquids

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

On the structure of high-density water at constant temperature. / Pettitt, Bernard; Calef, Daniel F.

In: Journal of Physical Chemistry, Vol. 91, No. 6, 1987, p. 1541-1545.

Research output: Contribution to journalArticle

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