Metal-organic complexes in geochemical processes: Calculation of standard partial molal thermodynamic properties of aqueous acetate complexes at high pressures and temperatures

Abstract

Estimates of standard partial molal properties at high temperatures and pressures for aqueous acetate complexes of major and trace elements in geologic fluids were made with the aid of experimental data from the literature and correlation algorithms. A system of correlation expressions allows the incorporation of all available experimental data, but also allows estimates in the absence of any measurements. Likely uncertainties for each type of estimate were assessed. Thermodynamic data and equation of state parameters permit calculation of standard partial molal properties including dissociation constants for 114 acetate complexes. Incorporation of many of these dissociation constants with those for hydroxide, chloride, and sulfate complexes demonstrate that acetate complexes are ineffectual in transporting major rock forming elements or trace metals in sedimentary basin brines. In contrast, these complexes could be considerably more efficient in metal transport in low salinity groundwater solutions with elevated concentrations of organic solutes. Calculations indicate that up to 40% of the acetate may be present as sodium and calcium complexes in basin brines with total salinities around 1.0 molal.