Modeling water interactions with graphene and graphite via force fields consistent with experimental contact angles
Accurate simulation models for water interactions with graphene and graphite are important
for nanofluidic applications, but existing force fields produce widely varying contact angles …
for nanofluidic applications, but existing force fields produce widely varying contact angles …
Chemical transformations and transport phenomena at interfaces
Interfaces, the boundary that separates two or more chemical compositions and/or phases of
matter, alters basic chemical and physical properties including the thermodynamics of …
matter, alters basic chemical and physical properties including the thermodynamics of …
Nature-inspired design: p-toluenesulfonic acid-assisted hydrothermally engineered wood for solar steam generation
Wood-based solar steam generation devices (W-SSGDs) have enormous potential to
produce pure water by distillation since they are sustainable, easily prepared and green …
produce pure water by distillation since they are sustainable, easily prepared and green …
Wetting and evaporation of salt-water nanodroplets: A molecular dynamics investigation
We employ molecular dynamics simulations to study the wetting and evaporation of salt-
water nanodroplets on platinum surfaces. Our results show that the contact angle of the …
water nanodroplets on platinum surfaces. Our results show that the contact angle of the …
Going beyond the standard line tension: Size-dependent contact angles of water nanodroplets
M Kanduč - The Journal of chemical physics, 2017 - pubs.aip.org
The dependence of the contact angle on the size of a nanoscopic droplet residing on a flat
substrate is traditionally ascribed solely to line tension. Other contributions, stemming from …
substrate is traditionally ascribed solely to line tension. Other contributions, stemming from …
Deposition patterns induced by the evaporation of the cyclic diblock copolymer solution droplet
J Zhang, HW Pei, ZY Sun - Macromolecules, 2024 - ACS Publications
In this work, molecular dynamics simulations are performed to study the deposition patterns
of the cyclic diblock copolymer solution nanodroplet on the solid surface (the wall). We focus …
of the cyclic diblock copolymer solution nanodroplet on the solid surface (the wall). We focus …
Molecular dynamics simulation of condensation on nanostructured surface in a confined space
Understanding heat transfer characteristics of phase change and enhancing thermal energy
transport in nanoscale are of great interest in both theoretical and practical applications. In …
transport in nanoscale are of great interest in both theoretical and practical applications. In …
Pinning of the contact line during evaporation on heterogeneous surfaces: slowdown or temporary immobilization? Insights from a nanoscale study
J Zhang, F Müller-Plathe, F Leroy - Langmuir, 2015 - ACS Publications
The question of the effect of surface heterogeneities on the evaporation of liquid droplets
from solid surfaces is addressed through nonequilibrium molecular dynamics simulations …
from solid surfaces is addressed through nonequilibrium molecular dynamics simulations …
Evaporation of R32/R152a mixtures on the Pt surface: A molecular dynamics study
The refrigerants mixture has a great perspective in the thermal engineering, while the
evaporation of refrigerants mixture still needs to be studied in depth. Therefore, molecular …
evaporation of refrigerants mixture still needs to be studied in depth. Therefore, molecular …
Generalized line tension of water nanodroplets
We compare all-atom simulations of nanoscale water droplets of spherical and cylindrical
morphologies on flat surfaces with tunable polarities. We find that for both morphologies, the …
morphologies on flat surfaces with tunable polarities. We find that for both morphologies, the …