PHREEQC input files and modified thermodynamic database for: Acetic and citric acid control on oxide hydration in MgO-CaO-H₂O systems

PHREEQC database and input files modelling the solubility of magnesium and calcium acetate and citrate phases formed during dissolution of MgO and CaO in acetic acid and citric acid solutions. The custom database, MeOrg26.dat, extends the standard PHREEQC database with citrate, acetate, and malate aqueous species and five solid phases (Mg-Cit-9Hyd, Mg-Cit-14Hyd, Ca-Cit, Mg-Ace, Ca-Ace), parameterised from literature solubility data (Apelblat, 1993, 1999, 2014; Saury et al., 1993). Four input files simulate titration of CaO or MgO into acetate or citrate solutions at concentrations matching validation experiments, generating dissolved-metal, saturation-index, and pH curves as a function of reaction progress. The dataset underlies the geochemical model shown in Fig. 1, Fig. 2, Fig. A1 and Table A1 of the research paper accompanying Pettauer, Baldermann, Eder, and Dietzel, "Acetic and citric acid control on oxide hydration in MgO-CaO-H2O systems."