SCALE2000: reaction-transport software dedicated to thermokinetic prediction and quantification of scales applicability to desalination problems Original Research Article

Mineral scaling prediction in industrial processes involving high salinity solutions at high temperatures remains notoriously intricate, due particularly to difficulties incurred by modelling the thermodynamic and kinetic behaviour of the mineral deposits in such systems. In addition to these complex thermokinetic processes, the quantification of the nature and extent of scale deposit requires the simultaneous incorporation of the mass transport effects resulting from fluid flow through different units of the considered flow sheet. The latest version (V3.1) of SCALE2000, a thermokinetic geochemical calculation program based on Pitzerʹs ion interaction model, can now take into account the fluid flow effect using a specific approach based on a scheme of serially connected homogeneous reactors. On the other hand, the SCALE2000 thermodynamic database allows the study of the Na-K-Ca-Mg-Sr-Ba-Fe-Cl-SO4-HS-OH-H-Ac-CO3- HCO3-H2S-CO2-AcH-SiO2-H2O system from 25 to 250°C, 1 to 1000 bar and for salinities as high as 300 g/l. The brine densities are also calculated using the Pitzerʹs formalism and the gas fugacity is calculated using equations of state recently published in the literature. Moreover, SCALE2000 simulates the mixing of waters with contrasting physicochemical properties, as well as fluid heating/cooling consequences. Thus SCALE2000 is well adapted to perform scaling risk prediction applied to industrial desalination facilities. The reliability of the SCALE2000 results was checked against measurements of individual mineral solubility and kinetics data derived from the literature. Furthermore, recent applications of SCALE2000 to geothermal energy production and oilfield exploitation cases [1,2] demonstrated the ability of the software to predict and quantify the scaling phenomenon in complex hydrogeochemical systems. The main features of the software as well as a specific example of scaling risk calculation likely to be encountered in desalination processes are presented.