The quest for the structure of water and aqueous solutions
- 31 March 1997
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 9 (13) , 2717-2730
- https://doi.org/10.1088/0953-8984/9/13/009
Abstract
During the past 25 years neutron diffraction has made a major contribution to understanding the microscopic structure of water and aqueous solutions. By performing isotope substitution on specific atomic sites, it is possible to develop a comprehensive picture of the way water molecules organize themselves around the ions and molecules which dissolve in or mix with water. The resulting data provide a sensitive, sometimes controversial, test of existing theories of the aqueous systems, which due to their complexity at the microscopic level, can normally only be derived using computer simulation techniques. This paper reviews some of the recent achievements in the field of neutron diffraction from aqueous systems and suggests how future experiments might be interpreted with the aid of computer simulation techniques.Keywords
This publication has 28 references indexed in Scilit:
- Parameterizing a polarizable intermolecular potential for waterMolecular Physics, 1995
- Hydrogen Bonding in Supercritical Water. 1. Experimental ResultsThe Journal of Physical Chemistry, 1995
- Properties of supercritical water: an ab initio simulationChemical Physics Letters, 1994
- Computer simulation of aqueous Na-Cl electrolytesJournal of Physics: Condensed Matter, 1994
- A computer simulation study of the liquid–vapor coexistence curve of waterThe Journal of Chemical Physics, 1993
- Neutron scattering studies of aqua-ionsJournal of Molecular Liquids, 1990
- The missing term in effective pair potentialsThe Journal of Physical Chemistry, 1987
- The structure of aqueous solutionsChemical Physics Letters, 1973
- Structure of water; A Monte Carlo calculationChemical Physics Letters, 1969
- The partial structure factors of liquid Cu-SnPhilosophical Magazine, 1966