Interfacial Barriers to Transport in Nanomaterials (2015–2021)
Abstract:
This project aims to make ground-breaking advances in the modelling of transport in disordered nanoporous
materials by uncovering the interfacial barriers that are critical to the entry and exit of molecules from their
nanostructure. The outcome will be an efficient new simulation tool to simultaneously quantify interfacial
transport resistances and system size-dependent internal transport coefficients. This will be achieved
through simulations and experiments on the adsorption and dynamics of targeted gases in carbons with
distinctly different nanostructures, enabling the optimal design of a wide range of emerging
nanotechnologies for membrane separations, kinetic molecular sieving, catalysis, and gas and
electrochemical energy storage.