PHRQPITZ: Geochemical calculations in brines
PHRQPITZ is a modification of the geochemical modeling code, PHREEQE, to permit calculations of geochemical reactions in brines and other highly concentrated electrolyte solutions using the Pitzer virial-coefficient approach for activity-coefficient corrections. Reaction-modeling capabilities include calculation of (l) aqueous speciation and mineral-saturation index, (2) mineral solubility, (3) mixing and titration of aqueous solutions, (4) irreversible reactions and mineral-water mass transfer, and (5) reaction path. The computed results for each aqueous solution include the osmotic coefficient, water activity, mineral saturation indices, mean activity coefficients, total activity coefficients, and scale- dependent values of pH, individual-ion activities, and individual-ion activity coefficients. A data base of Pitzer interaction parameters is provided at 25 C (Celsius) for the system: Na-K-Mg-Ca-H-Cl-SO4-OH-HCO3-CO3-CO2-H2O; and it is extended to include largely untested literature data for Fe(II), Mn(II), Sr, Ba, Li, and Br with provision for calculations at temperatures other than 25 C. PHRQPITZ is accompanied by an interactive input code, PITZINPT.