Water is the most important fluid in nature, and aqueous electrolyte solutions are ubiquitous components of environmental, geochemical, industrial and biological systems. The ability to understand and predict the properties of aqueous electrolyte solutions over a wide range of thermodynamic conditions is thus of considerable interest and importance. Our goals are to develop molecular simulation algorithms to more accurately predict the properties of these systems.
The graphic shows a snapshot from a simulation of aqueous NaCl at a supersaturated concentration. An incipient NaCl crystalline cluster is visible in the centre.