A new hydrogenation-coupling approach for supra- equilibrium conversion in a water-gas shift reaction: Simultaneous hydrogen generation and chemical storage

This work reports a practical system of hydrogenation-coupled water-gas shift reaction (HC-WGSR) for simultaneous hydrogen production and storage. The performance of the HC-WGSR system was predicted through thermodynamic simulation. The proof-of -concept tandem water-gas shift and propene hydrogenation strategy was successfully demonstrated using a bifunctional catalyst. The hydrogen produced from the WGSR was successfully stored in propane simultaneously, and the overall CO conversion of nearly 100% overcame the equilibrium limitation of the WGSR over a wide range of space veloc-ities (3000 -6000 h-1) at 200 degrees C and 1 bar. This study demonstrated that the in situ removal/ storage of H2 using the hydrogenation-coupling approach is promising even in a CO2-rich environment (20% CO2). The new approach shall see a great opportunity in using organic hydrogen carriers, e.g., benzene, toluene, N-ethylcarbazole, to expand the industrial ap-plications, underpinning the global supply chain for hydrogen energy.(c) 2023 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

Automated summary

This work presents a practical system for simultaneous production and storage of hydrogen through the hydrogenation-coupled water-gas shift reaction (HC-WGSR). Thermodynamic simulation was used to predict the performance of the HC-WGSR system. The study successfully demonstrated a proof-of-concept tandem reaction of water-gas shift and propene hydrogenation using a bifunctional catalyst. The hydrogen produced from the WGSR was effectively stored in propane, overcoming the equilibrium limitation of the WGSR and achieving a high overall CO conversion rate.