Interfacial Barriers to Transport in Nanomaterials

点击翻译按钮获取中文摘要

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 expected outcome is an efficient new simulation tool to simultaneously quantify interfacial transport resistances and system size-dependent internal transport coefficients. This is intended to 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.