Speaker
Description
Aqueous solutions confined within nanopores play a fundamental role in both natural and technological systems, governing processes such as ion regulation in cells, desalination, blue energy generation and the durability of construction materials. In this project, we aim to investigate the flow and phase behavior of aqueous solutions and the possible deviations from bulk behavior caused by nanoconfinement. Particular attention is devoted to hydrotropic compounds, which, beyond their role as green solvents, enable the modulation of the interactions among water, solutes, and pore surfaces.
Experimentally, we investigate the imbibition of water into nanoporous silica at different solute concentrations and relative humidities. In parallel, we employ molecular dynamics (MD) simulations to investigate the capillary flow of aqueous glycerol and ethylene glycol (EG) through a single nanopore at varying concentrations, and generalize the framework to describe any aqueous mixture flowing within a nanopore of given wettability properties, by tuning the mutual interactions among the solvent, solute and pore.
Experimental results show qualitative deviations from Lucas-Washburn behavior, with the square of the filling length exhibiting a non-linear trend except for water, highlighting the influence of the solute. A two-regime flow was observed in glycerol solutions which can be explained by a possible solute-solvent demixing. This hypothesis is supported by MD simulations, which show that glycerol and EG exhibit a slower filling rate and preferential adsorption onto the pore walls compared to water. These findings provide new insights into the role of solute-solvent-pore interactions in nanoconfined flows and provide a basis for predicting and controlling transport in nanoporous systems.
| Country | France |
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