posted on 2020-08-13, 21:30authored byHao Li, Tianyu Yan, Kristen A. Fichthorn
Molecular
dynamics (MD) simulations were used to study the effects
of gravity, solid surface energy, and the fraction of water–solid
interface area on the water droplet sliding angles on nanopillared
surfaces. To effectively simulate the influence of gravity on drop
sliding, we developed a protocol in which we scale the value of gravitational
acceleration used in our simulations according to the Bond number
(Bo). In this way, we approximate the behavior of
drops larger than we can effectively simulate using MD. The sliding
angle decreased with an increase in Bo, while it
increased with an increase in the liquid–solid surface interaction.
The sliding angles exhibit a minimum with an increase in the fraction
of water–solid interface area, due to meniscus formation at
high fractions. Trends predicted by our model are in agreement with
experiment. Using our model, we investigated the mechanisms of droplet
movement along nanopillared surfaces. Depending on the pinning state
of the droplets at equilibrium, either the advancing or the receding
contact angle initiates motion. Moreover, the minimum dynamic advancing
and receding contact angles of drops with gravity are close to the
static contact angle and the intrinsic contact angle, respectively,
while the maxima of both angles are as large as 180°. We find
that the drops move through a combination of sliding and rolling,
in agreement with experiment. Our studies offer clarity to conflicting
experimental reports and present new results awaiting experimental
confirmation.