Molecular dynamics simulation is applied to investigate
the effect
of two ionic liquids (IL) on the nucleation and growth of (nano)cavities
in water under tension and on the cavities’ collapse following
the release of tension. Simulations of the same phenomena in two pure
water samples of different sizes are carried out for comparison. The
first IL, i.e., tetra-ethylammonium mesylate ([Tea][Ms]), is relatively
hydrophilic and its addition to water at 25 wt % concentration decreases
its tendency to nucleate cavities. Apart from quantitative details,
cavity formation and collapse are similar to those taking place in
water and qualitatively follow the Rayleigh–Plesset (RP) equation.
The second IL, i.e., tetrabutyl phosphonium 2,4-dimethylbenzenesulfonate
([P
4444
][DMBS]), is amphiphilic and forms nanostructured
solutions with water. At 25 wt % concentrations, [P
4444
][DMBS] favors the nucleation of bubbles that tend to form at the
interface between water-rich and IL-rich domains. Cavity collapse
in [P
4444
][DMBS]/water solutions are greatly hindered by
a shell of ions decorating the interface between the solution and
the vapor phase. A similar effect is observed for the equilibration
of a population of bubbles of different sizes. The drastic slowing
down of the bubbles’ relaxation processes suggests ways to
produce long-lived nanometric cavities in the liquid phase that could
be useful for nanotechnology and drug delivery.