(241f) Coupling Water Electrolysis and Hydrogenation Chemistries Using Metal Oxide Bronzes
AIChE Annual Meeting
2020
2020 Virtual AIChE Annual Meeting
Catalysis and Reaction Engineering Division
Green Chemical Reaction Engineering for Sustainability
Monday, November 16, 2020 - 9:15am to 9:30am
The approach centers on a hydrogen-conducting membrane composed of a metal oxide bronze (MOB, HxMOy). Using density functional theory calculations, we investigated hydrogen intercalation in W, Mo, Ti, and V binary MOBs. We developed a kernel ridge regression (KRR) model to accelerate the prediction of intercalation potentials in the MOBs using acid-base properties as descriptors.2 Cyclic voltammetry and chronopotentiometry measurements agreed well with the KRR predictions. Interestingly, hydrogen intercalation was found to be feasible at several hundred mV positive of 0 V vs. RHE, indicating that reactive hydrogen could be generated from water at applied potentials smaller than the ~1.5 V required for water electrolysis. In further experiments, the reaction of Pt/HxWO3 with acetylene in a quartz tube reactor at 200 °C resulted in clear evidence of ethylene and ethane products.
[1] Miu, E.V., & McKone, J.R. (2019). Journal of Materials Chemistry A, 7(41), 23756-23761.
[2] Miu, E.V., Mpourmpakis, G. and McKone, J.R. (2020). In preparation.