3 papers
cond-mat.soft2024
Mechanical and thermodynamic routes to the liquid-liquid interfacial tension and mixing free energy by molecular dynamics
Rei Ogawa, Hiroki Kusudo, Takeshi Omori +4
In this study, we carried out equilibrium molecular dynamics (EMD) simulations of the liquid-liquid interface between two different Lennard-Jones components with varying miscibilit…
cond-mat.soft2024
Nanoscale Surfactant Transport: Bridging Molecular and Continuum Models
Muhammad Rizwanur Rahman, James P. Ewen, Li Shen +3
Surfactant transport is central to a diverse range of natural phenomena, and for many practical applications in physics and engineering. Surprisingly, this process remains relative…
physics.chem-ph2024
Measuring line tension: thermodynamic integration during detachment of a molecular dynamics droplet
Minori Shintaku, Haruki Oga, Hiroki Kusudo +3
The contact line (CL) is where solid, liquid and vapor phases meet, and Young's equation describes the macroscopic force balance of the interfacial tensions between these three pha…