Bridging theory and experiment in Capacitive Deionization (CDI): The multiscale and multi-technique modeling approaches

Capacitive deionization (CDI) is a growing technology for brackish water desalination where electrode design is a critical element of the technology. In CDI, basically the ions are stored into the porous structure of the two composedly charged electrodes when the desalination occurs. Carbonaceous materials are mainly used in developing the CDI electrodes. One challenge in CDI technologies is understanding the electrochemical ion storage mechanisms in porous charged electrodes, which directly impact performance. Multiscale computational approaches, which aim to connect theoretical and experimental work, have gained a following to optimize CDI electrode design and process efficiency. This presentation will describe cutting-edge multiscale modeling approaches, from physics-based simulations, to machine learning, focused on electrode design ranging from molecular interactions to real-scale integration of systems. By integrating advanced computational strategies, we demonstrate how engineered architectures of electrodes can improve CDI performance and provide insights on next generation desalination technologies.

Dr. Farzin Saffarimiandoab is an academician and researcher whose research has focused on developing water desalination techniques inducing membrane and electrochemical techniques. He holds a PhD in Environmental Science and New Energy Technology from Tsinghua University, China and a M.Sc. from Istanbul Technical University, Turkey. In addition, Dr. Saffarimiandoab has worked as a researcher in KU Leuven, Belgium. He currently is a visiting professor in the University of Tehran, Iran.