Calculation of the thermodynamic and transport properties of aqueous species at high pressures and temperatures: Correlation algorithms for ionic species and equation of state predictions to 5 kb and 1000°C
Abstract
Correlation algorithms permit prediction of speciesdependent parameters in revised equations of state ( TANGER and HELGESON, 1988) for aqueous ions and electrolytes which can be used together with values at 25°C and 1 bar of the standard partial molal entropies ( S^{0}), volumes ( V^{0}), and heat capacities ( C^{0}_{p}) of the ions to calculate their standard partial molal thermodynamic properties at pressures and temperatures to 5 kb and 1000°C. Values of V^{0} and C^{0}_{p} at 25°C and 1 bar have been calculated for 128 aqueous ions from analysis of published experimental data or from correlations of these properties with S^{0}. Equation of state parameters have also been generated for these ions and examples are given of predicted standard partial molal thermodynamic properties of representative cations and anions at high pressures and temperatures. Close agreement between independently predicted and experimentally determined equilibrium constants for acid anion dissociation reactions at high temperatures supports the validity and generality of the predictive algorithms.
 Publication:

Geochimica et Cosmochimica Acta
 Pub Date:
 August 1988
 DOI:
 10.1016/00167037(88)901810
 Bibcode:
 1988GeCoA..52.2009S