枯竭气藏中氢气储存的水文地球化学模拟：基于局部与全局敏感性分析的启示

Abstract Underground hydrogen storage (UHS) offers a solution for large-scale energy storage by addressing the challenges of location dependence, fluctuation, and forecasting inherent in renewable energy sources . To increase renewable energy storage capacity from GWh to TWh, sites with large capacity and easy accessibility need to be investigated. Hydrogen (H 2 ) is a reductant in redox reactions with subsurface minerals and aqueous species. Therefore, modeling three-phase (gas–brine–mineral) reaction networks is crucial for understanding H 2 (g) behavior during underground storage . To meet this need, we performed time-dependent batch simulations of subsurface H 2 (g) loss using PHREEQC. Subsequently, the static and kinetic equilibrium reaction results were integrated into multiphase reactive transport models in PFLOTRAN, providing a complete simulation of H 2 (g) loss and hydrogen sulfide (H 2 S(g)) formation under storage conditions. The resulting suite of simulations reflects an abiotic reaction network among H 2 (g) and subsurface minerals in the H 2 –H 2 O–CO 2 –SiO 2 –Ca–Al–Fe–S system. The simulations highlight that quartz-rich sandstone reservoirs are ideal for hydrogen storage, with minimal H 2 (g) reactivity and dissolution in brine leading to around 1% total loss over a year. Reduction of sulfur (S) and ferric iron (Fe(III)) primarily controls subsurface H 2 (g) loss, contributing an additional 1 %–4 % loss and showing potential evidence of an autocatalytic effect. Finally, we conducted local and global sensitivity analysis over extensive simulations and a broad parameter space to identify water saturation and temperature as the key parameters influencing H 2 (g) loss and H 2 S(g) formation. Results underscore the importance of reducing uncertainty in minerals’ kinetic rate expression and reactive surface area.