"Modeling and simulation play a crucial role in driving forward the field of electro-organic synthesis. This area of study holds immense promise, offering innovative pathways to revolutionize chemical production. By harnessing these tools, we can explore more efficient and sustainable methods for meeting the ever-growing demand for fine chemicals and pharmaceuticals. It's all about paving the way for a greener, more efficient future in chemical manufacturing."
Axel Dullak
MiEl Doctoral Candidate

About my academic career

About my thesis - Two-phase flow in porous electrodes and flow cell simulation

Our project focuses on understanding the complex dynamics of two-phase flow within porous electrodes, essential for advancing electro-organic synthesis. We aim to develop a mesoscale Lattice Boltzmann (LB) model tailored for porous electrodes, allowing us to explore the behavior of high-density, high-viscosity two-phase flows and simultaneous homogeneous and heterogeneous reactions.

We intend to use the results of the simulations along with upscaling strategies to bridge the gap between mesoscopic and macroscopic scales. This will help us extract effective material parameterizations needed to describe transport and reaction phenomena in porous electrodes at a macroscopic level.

Our simulation framework will encompass electrolyte transport, surface tension effects, multi-step electrochemical reactions, and heat transfer within porous electrodes. These simulations will provide insights into various electrode morphologies and two-phase fluid configurations.

Expected outcomes include the development of an open-source mesoscale LB code and robust constitutive relationships. These will aid in upscaling two-phase flow behavior and accurately capturing multi-step electrochemical reactions. We envision developing cell-scale models integrating porous electrodes, facilitating the optimization of flow cell systems.

Through collaborative efforts and ongoing research, our project aims to contribute to advancements in electro-organic synthesis and flow cell technology, paving the way for diverse applications.