A new automated model brings stability to finite?element simulations of capacitive deionization

The massive need for freshwater is driving new desalination technologies such as capacitive deionization (CDI), wherein an applied electric field between porous electrodes removes salt ions from water. In this work, we present substantial advances in numerical approaches to 2D finite-element models that make it possible tractably and accurately simulate the local transport, charge-transfer, ion-adsorption processes. This achieved by introducing a approach improves stability of method (SmD), which further allows precise effective modeling was previously too unstable use state-of-the-art models. results show model now reliably simulates CDI processes while being effectively applicable wider range structural (device level) operational conditions (like flow). Crucially, opens up opportunities allow us provide novel insights into processes, especially relating ion-starved conditions. Finally, algorithms support fully automatic implementation with simultaneous fit multiple data sets openly all software code increase accessibility. Thus, fundamentally believe developed will solid foundation spatiotemporal simulations aid future development technology.