In this work, the software programs PHREEQC v3 and Reaktoro are used. The PHREEQC v3 computer program is written in the C/C++ programming language and is designed to perform a wide variety of aqueous geochemical calculations and is delivered free of charge by the U. S. Geological Survey. The program is interfaced from the Python programming language v3.9. The chemical systems simulated in this work are modelled using the databases "phreeqc.dat" and "pitzer.dat". The Pitzer database is the PHREEQC version of the Yucca Mountain EQ3/6 thermodynamic database. Further description of the methods and models implemented in PHREEQC, including databases, is readily available and can be found in numerous relevant publications e.g., , , - . Reaktoro is an open-source software program developed in C++ and Python for modelling reactive processes. Reaktoro simulations were carried out using Python v3.9. Reaktoro supports many different databases, including those developed for PHREEQC. Compared to PHREEQC, where the thermodynamic models for the aqueous and gaseous phases are linked directly to a specific database, Reaktoro allows choosing the thermodynamic models for the gas and aqueous phases independently of the selected database. Moreover, Reaktoro has also a broader range of models for calculating both activity coefficients and fugacities.