Simulation of H₂O-to-Hydrogen Conversion Using Photocatalytic Technology
Keywords:
Photocatalytic, Hydrogen, H2O, Methanol, Aspen HYSYSAbstract
Hydrogen is increasingly recognized as a critical component of the global energy transition due to its potential as a clean and sustainable energy carrier. This study investigates photocatalytic water splitting using TiO₂ as a semiconductor and methanol as a sacrificial agent to produce hydrogen. A simulation-based approach using Aspen HYSYS V14 was employed to evaluate process efficiency under varying operating conditions and reactor configurations. Two system configurations—base and recovery—were analyzed using a constant feed of 3,000 kg/h of water and 1,000 kg/h of methanol. The simulation revealed that hydrogen production is significantly influenced by temperature and water-tomethanol ratio. The recovery configuration, operating at 348.15 K with a 3:1 waterto-methanol ratio, yielded the highest hydrogen production rate of 335.02 kg/h. In addition to hydrogen, the process generated valuable by-products—formaldehyde (733.12 kg/h) and formic acid (0.56 kg/h)—which enhance the system’s economic and environmental sustainability when integrated into a circular economy framework. The overall gross profit is estimated at USD 4.16 million per year. These findings highlight the potential of optimized photocatalytic systems for scalable, low-emission hydrogen production and provide a foundation for future experimental validation and large-scale implementation.
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