Evaporation of water nanodroplets on
a hydrophilically adjusted graphene sheet was studied based on a molecular
dynamics approach. Suspended graphene was used as a physically heterogeneous
surface, and fixed graphene was considered as an ideally flat surface.
State of the triple-phase contact line (TPCL) and shape evolution
were addressed at four different temperatures on both substrates.
Additionally, contact angle (CA) was studied during 3 and 22.5 ns
simulations in both closed and opened conditions. The observed constant
contact angle regime was predictable for the fixed graphene. However,
it was not expected for the suspended system and was attributed to
the oscillations of the substrate atoms. The size of the nanodroplet
also affects the constant-contact-angle mode in both systems, when
the number of water molecules decreases to less than 500. The oscillations
created a surface on which physical heterogeneities were varying through
time. Examination of the evaporation and condensation processes revealed
higher rates for the fixed systems. Local mass fluxes were calculated
to reveal the contribution of TPCL and meridian surface (MS) of the
nanodroplet to evaporation and condensation. The obtained results
indicate similar values for the mass flux ratio at the TPCL, which
remains twice as large as the MS for both suspended and fixed graphene.
The results confirm the assumption that a surface with varying heterogeneities
can overwhelm the droplet and act as an ideally flat surface.