Surface to System Modelling

Our Goal

We develop integrated multi-scale model frameworks to better understand and rationally scale up next generation chemical and electrochemical technologies from innovative lab-scale devices to novel industrial systems. Hierarchical Hybrid Modelling Methodology

Our Approach

We employ a hierarchical approach to accurately predict the performance and lifetime of commercial-scale 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, flowsheet modelling and machine learning to work towards increasingly higher fidelity digital twins for design and control.