Speaker
Description
We present a way to design porous materials using pore-network modelling that predicts the effects of pore structure and wettability on coupled heat and mass transport with reaction. As an example we investigate the performance of electrochemical devices where the wettability of the porous electrodes governs the reaction rate and overall performance. We present a predictive pore-scale network modelling framework that explicitly correlates wettability, fluid connectivity, and reactivity in catalyst layers for CO2 electroreduction in flow cells. Simulations reveal that introducing a hydrophobic pore fraction of ~35% establishes a mixed-wet state that maximizes the reactive area, which is quantified through the length of spatially distributed three-phase contact regions where electrolyte, CO2 and catalyst coexist. This configuration preserves CO2 accessibility while mitigating electrolyte flooding. We introduce polytetrafluoroethylene (PTFE) as a wettability-tuning additive and experimentally demonstrate that a tailored PTFE loading of 38 vol% in the catalyst yields enhanced C2+ production, with improvements of 24% in C2+/C1 selectivity and 14% in C2+ partial current density: this optimal fraction of hydrophobic material corresponds to the predictions of the pore-scale model. This work establishes wettability as an active, quantitative design parameter rather than a passive material property. Beyond CO2 reduction, this framework provides a generalizable principle for designing electrolyzers, fuel cells, flow batteries, and packed bed reactors containing porous materials. By coupling mechanistic modelling with experimental validation, this study provides both fundamental insight and a practical pathway toward scalable, high-performance electrochemical devices and reactors that are essential to sustainable energy and carbon-neutral technologies.
| Country | United Kingdom |
|---|---|
| Acceptance of the Terms & Conditions | Click here to agree |
