Thermodynamic Screening of Iron-bearing Mineral Reactivity with Hydrogen

This dataset supports the manuscript “Thermodynamic Screening of Iron-bearing Mineral Reactivity with Hydrogen”. The hypothesis is that hydrogen loss in underground hydrogen storage depends on mineralogy and reservoir chemistry (especially pH and P(H₂)), rather than simply on bulk iron content. The files contain thermodynamic input data (from THERMODDEM) and calculated ΔG values for reductive dissolution (Fe³⁺ → Fe²⁺) and native-iron (Fe⁰) formation for 11 Fe-bearing minerals over ranges in temperature, pH, hydrogen partial pressure and Fe²⁺ concentration. Data were generated in Python by applying standard Gibbs free-energy equations and Henry’s law; no experimental measurements are included. The results show that cronstedtite, ferrihydrite and hisingerite are consistently strong hydrogen oxidizers, while minerals such as hematite, magnetite, epidote and andradite are only thermodynamically reactive under acidic–neutral conditions, and glauconite is largely non-reactive. Native iron formation generally requires much higher hydrogen partial pressure than Fe²⁺ production.