Review on "Nature-inspired, computer-assisted optimization of hierarchically structured zeolites"

Our review on "Nature-inspired, computer-assisted optimization of hierarchically structured zeolites" is out now in Advanced Materials Interfaces, in a special issue on "Hierarchically Ordered Oxides". Read our paper here.

The review is authored by our director Marc-Olivier Coppens, former CNIE postdoc Tobias Weissenberger, long-time collaborator and former CNIE member Dr Guanghua Ye and his student Qunfeng Zhang at East China University of Science and Technology. We stress the importance of theoretical fundamentals of diffusion and reaction in porous catalysts for zeolite synthesis, underpinned by multiscale simulations , rather than making hand-waving assumptions on size and distribution of the pores. What matters a lot is the total, well connected porosity, with pores that are wide enough (macropores will often do!) and zeolite crystals that are small enough - we provide precise criteria in the paper, easy to use in applications for general reaction kinetics. We also highlight the importance of zeolite crystal surface barriers - the interfaces - which, like in nature (e.g. cells), play an essential role in overall transport and reaction: a great opportunity for nature-inspired optimisation!