DES-code: A metacode to aid calculation of the chemical potential of aqueous solutions at elevated temperatures and pressures

Abstract

The DH-ASF (Debye-Hückel-asymmetric formalism) model is a recently developed activity-composition model that can be used to calculate the thermodynamic effects of mixing in strong electrolyte and mixed solvent supercritical solutions at high pressures (> 3 kbar) and temperatures (> 400 {ring operator} C). The model uses a mole fraction concentration scale, and calculations are based on a pre-defined independent set of end-members that define speciation within the solution. This differs from the conventional use of molal concentration scales with sets of end-members that define the composition of the solution, but not the speciation (apparent end-members). This work presents DES (dual end-mem..