The structure of THF-water mixtures and clathrates in nanoscale confinement

Tetrahydrofuran (THF) is a small organic molecule in which four carbon atoms are joined together by an oxygen atom to form a ring (https://en.wikipedia.org/wiki/Tetrahydrofuran). THF is a liquid at room temperature and is extremely valuable as an industrial solvent, for example in processing polyvinyl chloride (PVC) and 3D printing. THF itself dissolves in water, to form mixtures that are used in the liquefaction of plant-based biomass and formation of biofuels. In addition, at 4C and below, THF-water mixtures freeze to form cage-based crystals in the same family as the methane-hydrates found undersea and in arctic tundra. In this proposal we aim to understand the behaviour of these fascinating and versatile THF-water mixtures by measuring their structure (molecular arrangements) under a range of different conditions, and when confined to very small (nanometer-scale) pores.