Bio-inspired routes to producing porous silica materials offer great potential to make the currently adopted synthesis routes more sustainable through the use of milder synthesis conditions, short reaction times and non-toxic reagents. In this work, we apply a unique combination of design of experiments and multi-scale modelling to better understand how the structure of ordered mesoporous silicas (OMS) can be controlled by manipulating synthesis conditions, with a focus on using bio-inspired mild synthesis conditions and improved yield, whilst maintaining highly ordered pore structures. Our simulation results show that the silica-surfactant ratio plays a crucial role in the promotion of ordered mesophases by controlling the delicate balance between charge-matching interactions at the surface of silica/surfactant micelles. However, a trade-off is observed between the degree of order and the product yield, which decreases as the silica concentration increases. This problem can be addressed by the inclusion of the bio-inspired additives, which we hypothesize to have a catalytic effect on the silica condensation reaction occurring at the silica/surfactant interface. Based on these insights, we propose a novel synthesis route to produce highly ordered OMS materials more rapidly, under milder synthesis conditions and with higher yield than has been previously reported.
