Thermodynamics of aqueous fluids

Interpretation and modeling of reactive flow in hydrothermal, geothermal or sequestration systems requires thermodynamic data for aqueous solutes, which are currently limited to properties at infinite dilution in aqueous liquids and cannot be extrapolated to low pressures (low-density vapors, boiling hydrothermal systems) or high pressures (high-density fluids and their supercritical transition to hydrous melts in the deep lithosphere). We plan to develop a new self-consistent equation of state for aqueous solutes, applicable to wide range of temperature, pressure and concentrations. This approach builds on density and temperature as independent variables inherent in the Helmholtz energy formulation and internally incorporates additional contributions arising from solvent-solute and solute-solute interactions.  

Collaborators: Barbora Hanková (M.Sc.)

Representative publications: Dolejš & Manning (2010), Dolejš (2013), (2016)