Simon Fraser University, Department of Chemistry, Burnaby, V5A 1S5, Canada.
ZincNyx Energy Solutions Inc., Vancouver, V6P 6T3, Canada.
Sci Rep. 2016 Dec 23;6:38780. doi: 10.1038/srep38780.
This article presents a structure-based modeling approach to optimize gas evolution at an electrolyte-flooded porous electrode. By providing hydrophobic islands as preferential nucleation sites on the surface of the electrode, it is possible to nucleate and grow bubbles outside of the pore space, facilitating their release into the electrolyte. Bubbles that grow at preferential nucleation sites act as a sink for dissolved gas produced in electrode reactions, effectively suctioning it from the electrolyte-filled pores. According to the model, high oversaturation is necessary to nucleate bubbles inside of the pores. The high oversaturation allows establishing large concentration gradients in the pores that drive a diffusion flux towards the preferential nucleation sites. This diffusion flux keeps the pores bubble-free, avoiding deactivation of the electrochemically active surface area of the electrode as well as mechanical stress that would otherwise lead to catalyst degradation. The transport regime of the dissolved gas, viz. diffusion control vs. transfer control at the liquid-gas interface, determines the bubble growth law.
本文提出了一种基于结构的建模方法,用于优化在电解质淹没的多孔电极中的气体析出。通过在电极表面提供疏水区作为优先成核位点,可以在孔隙外成核和生长气泡,促进它们释放到电解质中。在优先成核位点生长的气泡充当电极反应中产生的溶解气体的汇,有效地将其从充满电解质的孔隙中抽吸出来。根据该模型,在孔隙内成核气泡需要高过饱和度。高过饱和度允许在孔隙中建立大的浓度梯度,从而驱动扩散通量朝向优先成核位点。这种扩散通量使孔隙保持无气泡状态,避免了电极的电化学活性表面积失活以及否则会导致催化剂降解的机械应力。溶解气体的传输模式,即扩散控制与气液界面的传质控制,决定了气泡的生长规律。