Multiscale modelling and whole system optimization to enable a circular chemical economy

The overarching objective is to develop a systems engineering methodology to optimise the sustainability of olefins, the raw material for 70% of all organic chemical production, subject to deep circularity interventions. The methodology will rely on multiscale modelling - from molecular to the mega-scale - in order to quantify the life-cycle impacts of emerging catalytic technologies for conversion of captured CO2, biomass and recycled waste into olefins, and thereby guide their selection. We will combine state-of-the-art kinetic and process modelling with emerging ideas in life-cycle and circular-economy concepts such as planetary boundaries and resource states.