Classification Framework for Hydrological Resources for Sustainable Hydrogen Production with a Predictive Algorithm for Optimization

Given the urgent need to decarbonize the global energy system, green hydrogen has emerged as a key alternative in the transition to renewables. However, its production via electrolysis demands high water quality and raises environmental concerns, particularly regarding reject water discharge. This study employs an experimental and analytical approach to define optimal water characteristics for electrolysis, focusing on conductivity as a key parameter. A pilot water treatment plant with reverse osmosis and electrodeionization (EDI) was designed to simulate industrial-scale pretreatment. Twenty water samples from diverse natural sources (surface and groundwater) were tested, selected for geographical and geological variability. A predictive algorithm was developed and validated to estimate useful versus reject water based on input quality. Three conductivity-based categories were defined: optimal (0–410 µS/cm), moderate (411–900 µS/cm), and restricted (>900 µS/cm). Results show that water quality significantly affects process efficiency, energy use, waste generation, and operating costs. This work offers a technical and regulatory framework for assessing potential sites for green hydrogen plants, recommending avoidance of high-conductivity sources. It also underscores the current regulatory gap regarding reject water treatment, stressing the need for clear environmental guidelines to ensure project sustainability.