The local bonding in water from -20 to 220 degrees C

It is believed that the mean distance between water molecules increases with a decrease in water temperature below room temperature due to the increase in 'hydrogen bonds', which implies an increase in the local fourfold coordination. In order to investigate how far this effect extends over a wider range, we have made constant-density measurements of the principal peak of the neutron structure factor of heavy water as a function of temperature. Data were taken at densities from 10% greater to 8% less than the maximum density at 1 atm, and for temperatures extending from -20 to 220 degrees C. The effects seen at ambient conditions were found to extend over this whole range.

[1]  P. A. Egelstaff The structure of simple fluids , 1994 .

[2]  A. Soper,et al.  The interatomic structure of water at supercritical temperatures , 1993, Nature.

[3]  P. Kusalik,et al.  Structure in liquid water: A study of spatial distribution functions , 1993 .

[4]  A. Soper,et al.  Neutron Diffraction Study of Water At High Temperature , 1992 .

[5]  R. Mountain Molecular dynamics investigation of expanded water at elevated temperatures , 1989 .

[6]  P. A. Egelstaff,et al.  Quantum effects in the structure of water measured by gamma ray diffraction , 1986 .

[7]  Alan K. Soper,et al.  A new determination of the structure of water at 25°C , 1986 .

[8]  J. Polo,et al.  Structural changes in low temperature water , 1986 .

[9]  G. Dolling,et al.  Neutron diffraction of liquids to 20 kbar: An aluminum‐alloy pressure vessel , 1985 .

[10]  J. Teixeira,et al.  Neutron diffraction studies of water , 1983 .

[11]  J. Dore,et al.  Neutron diffraction studies of water: III. Structural change as a function of temperature , 1983 .

[12]  A. Y. Wu,et al.  Neutron diffraction of heavy water to 15·6 kbar , 1982 .

[13]  P. A. Egelstaff,et al.  NUCLEAR-NUCLEAR CORRELATIONS IN LIQUID RUBIDIUM , 1980 .

[14]  P. A. Egelstaff Structure and dynamics of diatomic molecular fluids , 1978 .

[15]  E. Clementi,et al.  Study of the structure of molecular complexes. XIII. Monte Carlo simulation of liquid water with a configuration interaction pair potential , 1976 .

[16]  K. Gubbins,et al.  Monte Carlo study of the pair correlation function for a liquid with non-central forces , 1973 .

[17]  M. S. Ananth,et al.  Angular correlation effects in neutron diffraction from molecular fluids , 1973 .

[18]  P. A. Egelstaff,et al.  Experimental study of the triplet correlation function for simple liquids , 1969 .

[19]  J. Barker,et al.  Perturbation Theory and Equation of State for Fluids. II. A Successful Theory of Liquids , 1967 .

[20]  J. Ziman The method of neutral pseudo-atoms in the theory of metals , 1964 .