Bui, T; Frampton, H; Huang, S; Collins, IR; Striolo, A; Michaelides, A; (2021) Water/oil interfacial tension reduction - an interfacial entropy driven process. Physical Chemistry Chemical Physics 10.1039/d1cp03971g. (In press).

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Abstract

The interfacial tension (IFT) of a fluid–fluid interface plays an important role in a wide range of applications and processes. When low IFT is desired, surface active compounds (e.g. surfactants) can be added to the system. Numerous attempts have been made to relate changes in IFT arising from such compounds to the specific nature of the interface. However, the IFT is controlled by an interplay of factors such as temperature and molecular structure of surface-active compounds, which make it difficult to predict IFT as those conditions change. In this study, we present the results from molecular dynamics simulations revealing the specific role surfactants play in IFT. We find that, in addition to reducing direct contact between the two fluids, surfactants serve to increase the disorder at the interface (related to interfacial entropy) and consequently reduce the water/oil IFT, especially when surfactants are present at high surface density. Our results suggest that surfactants that yield more disordered interfacial films (e.g. with flexible and/or unsaturated tails) reduce the water/oil IFT more effectively than surfactants which yield highly ordered interfacial films. Our results shed light on some of the factors that control IFT and could have important practical implications in industrial applications such as the design of cosmetics, food products, and detergents.

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