Solubility equilibria. From data optimization to process simulation*
Erich K�nigsberger
Department of Chemistry, Division of Science and Engineering,
Murdoch University, Murdoch, WA 6150, Australia
Abstract: Models that accurately predict solid�solute phase
equilibria in aqueous electrolyte solutions are of mounting importance
for numerous industrial processes, especially those operating at high
temperatures, pressures, and concentrations. The incorporation of such
electrolyte models into process simulators is in great demand. This
communication will focus on thermodynamically consistent models that
can simultaneously predict densities, heat capacities, and apparent
molar enthalpies of multicomponent electrolyte mixtures together with
activities of their constituents. Data optimization issues to be discussed
include the CALPHAD (CALculation of PHAse Diagrams) method applied to
electrolyte systems and the generation of robust models that extrapolate
well outside the parameterization space. Recent development of software
suitable for the simulation of industrial processes involving concentrated
electrolyte solutions will be outlined.
* Lectures presented at the 10th International Symposium
on Solubility Phenomena, Varna, Bulgaria, 22 -26 July 2002. Other
lectures are published in this issue, pp. 1785-1920.
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