Density functional approach to wetting behavior of water on solid surfaces modified by grafting of chains and their mixtures
We apply a classical density functional theory for associating fluids to study wetting of a
simple model of water and graphite-like solid surface chemically modified by the grafting of …
simple model of water and graphite-like solid surface chemically modified by the grafting of …
Effects of molecular size and orientation on the interfacial properties and wetting behavior of water/n-alkane systems: a molecular-dynamics study
F Hrahsheh, G Wilemski - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Molecular dynamics simulations (MD) are performed to study the interfacial structure/tension
and wetting behavior of water/n-alkane systems (water/nC5 to water/nC16 where nCx= CxH …
and wetting behavior of water/n-alkane systems (water/nC5 to water/nC16 where nCx= CxH …
Second inflection point of supercooled water surface tension induced by hydrogen bonds: A molecular-dynamics study
Surface tension of supercooled water is a fundamental property in various scientific
processes. In this study, we perform molecular dynamics simulations with the TIP4P-2005 …
processes. In this study, we perform molecular dynamics simulations with the TIP4P-2005 …
Effects of Organic Surface Contamination on the Mass Accommodation Coefficient of Water: A Molecular Dynamics Study
J Hartfield, E Bird, Z Liang - The Journal of Physical Chemistry B, 2024 - ACS Publications
The mass accommodation coefficient (MAC), a parameter that quantifies the possibility of a
phase change to occur at a liquid–vapor interface, can strongly affect the evaporation and …
phase change to occur at a liquid–vapor interface, can strongly affect the evaporation and …