3 papers
physics.chem-ph2026
Accounting for Nanofilm Contributions in Interfacial Free Energy Calculations Using Classical Density Functional Theory
Yafan Yang, Zufeng Zuo, Xingyu Zhao +2
Fluid nanofilms play a fundamental role in nanoscale interfacial thermodynamics, yet their treatment in classical density functional theory (cDFT) remains incomplete. We investigat…
physics.chem-ph2026
Estimating the disjoining pressure of liquid nanofilms from molecular dynamics simulations via implicit treatment of the bulk liquid phase
Jianzhou Wang, Wang Jianzhou, Zuo Zufeng +13
The commonly adopted constant bulk liquid density approximation for estimating disjoining pressure in liquid nanofilms, although justified by the low compressibility of liquids, ca…
physics.chem-ph2026
Resolving Discrepancies in Disjoining Pressure Predictions for Liquid Nanofilms from Molecular Simulations
Yafan Yang, Zufeng Zuo, Jingyu Wan +2
Literature values of disjoining pressure in liquid nanofilms from different molecular simulation methods show significant discrepancies. We demonstrate that these arise from neglec…