Current Project by Andrey Plyasunov

EQUATIONS OF STATE FOR AQUEOUS SPECIES

A traditional line of research in this laboratory is the development of equations of state for aqueous species at infinite dilution in water over extended temperatures (up to 1300 K, or 1000^oC) and pressures (up to 1 GPa, or 10 kbar) ranges. Here by “equations of state” we mean relations between parameters of state, such as temperature and pressure, pure water properties, such as density or dielectric constant, and the chemical potential or its derivatives of an aqueous species at infinite dilution. Much of the earlier works have been done on the application of the Born-type electrostatic Helgeson-Kirkham-Flowers (HKF) model to correlate and predict high-temperature thermodynamic properties of aqueous inorganic and organic ions, complex species, and neutral compounds. A latter research is focused on the development of models based on the Fluctuation Solution theory to correlate and predict properties of organic and inorganic neutral compounds in water at different temperatures and pressures, including low-density and near-critical regions.