Welcome to the Surface to System Modelling (S2SM) homepage! We are a group hosted under the chair of the Catalytic Processes and Materials Group in the Faculty of Science and Technology of the University of Twente.
We develop integrated multi-scale multi-physics digital twins (from catalyst/electrode surfaces to industrial unit systems) to better design, control and scale up next-generation chemical and electrochemical technologies from innovative lab-scale devices to novel industrial processes. Our priority areas are energy storage and conversion technologies with emphasis on hydrogen fuel cells and electrolysers and redox flow batteries.
See Aayan talk about our work at the 2022 EU Hydrogen Week in Brussels below!
- We employ a hierarchical model-chain approach utilising data clustering methods to bridge the micro, meso and macro scales and predict the performance and lifetime of industrial unit systems directly from material, catalytic and morphological properties measured in the lab.
- We combine a myriad of modelling methods including detailed micro-kinetic surface reaction modelling, mesoscale structural evolution modelling, continuum transport modelling, system flowsheet modelling and machine learning to work towards increasingly higher fidelity digital twins for design and control.
- We set up and perform dedicated lab-scale experiments, using a wide array of spectroscopic and performance analysis techiques, for model parametrization, validation and real-time feedback for digital twinning.