Merging experiments, theory and simulations of rheology, flow and microstructure of nanofiber dispersions to enable novel nanomaterials

Nanostructured materials provide unique mechanical, electrical, thermal and biological functions facilitating e.g. more sustainable material loops or improved health. Often. large scale production of promising material concepts depend on our ability to establish particular nanostructures such as aligned nanofibrils. In this context, well defined hydrodynamical manipulation of non-spherical nanoparticles is critical. Of course, accurate digital modelling is the key to design flow systems in which predefined structures can be produced with high accuracy and throughput. With this need in mind, we present a combined experimental, numerical and theoretical investigation of the rheology, flow and nanostructure of cellulose nanofibrils (CNF) in a flow system that has been used to assemble very strong and stiff macroscale filaments by creating an aligned nanostructure. Rheometry, Optical Coherence Tomography (OCT), Polarized Optical Microscopy (POM) and Small Angle X-ray Scattering (SAXS) are combined with multiphase simulations for the flow and nanofibril alignment. The result is a digital twin that can be used both top evaluate the present process and develop new processes. However, it is also clear the there are hurdels in terms of fundamental understanding of nanodispersions that must be overcome in order to unleash the full potential of nanotechnology.