Congratulations to Associate Professor Raffaela Cabriolu, associated member of PoreLab, and Dr. Francesca Bleken from SINTEF Industry. Their proposal on “Multiscale dynamics of the semi-catalytic Rochow-Müller process” received funding from the Research Council of Norway through the FRIPRO program.
DYNCAT, acronym for “Multiscale dynamics of the semi-catalytic Rochow-Müller process” aims to provide a highly predictive physics-based model of the Rochow-Müller process at the atom-scale that can be used together with other models in a digital twin for minimising the overall energy consumption and environmental footprint of the global production. DYNCAT offers an in-depth understanding of this highly dynamic process starting at the electronic scale.
DYNCAT will allow modeling catalytic reactions on or inside porous supports, providing atomistic insights to calibrate porous flow and transport models, and enabling multiscale simulation from quantum chemistry to pores and finally full reactor.
The project team combines complementary expertise from SINTEF and NTNU.
Francesca L. Bleken (Project Manager) is a senior research scientist at SINTEF, with a background in experimental and theoretical heterogeneous catalysis.
Raffaela Cabriolu (Leader of Work Package: atomistic modelling) is an associate professor at the Department of Physics at NTNU. Her expertise spans statistical mechanics and the simulation of rare events, with a focus on modelling the kinetics and thermodynamics of physico-chemical processes.
Ingeborg‐Helene Svenum (Leader of Work Package: electronic structure calculations) is a senior research scientist in SINTEF and an adjunct associate professor at NTNU. Her background is in surface science and catalysis.
Shreenath Krishnamurthy (Leader of Work Package: adsorption and separation process) is a senior research scientist at SINTEF with a background in adsorption, separation processes, and characterization of porous solids.
Jesper Friis (Leader of Work Package data mining and ML calculations) is a senior researcher at SINTEF with a background in materials physics and multi-scale modelling. He is internationally recognised for his contributions to shared semantic standards for applied sciences and cross-domain interoperability.