Molecular dynamics (MD) simulations are carried out to calculate the surface tension of bubbles formed in a metastable Lennard-Jones (LJ) fluid. The calculated normal and transverse pressure components are used to compute a surface tension which is compared to the surface tension computed from the Young-Laplace equation. Curvature effects on surface tension are investigated by performing various sized simulations ranging from 6,912 to 256,000 LJ particles. Density profiles, pressures, and calculated surface tension are shown to have a strong dependence on the choice of the interaction cutoff radius. A cutoff radius of 8σ, significantly larger than that commonly used in the literature, is recommended for accurate calculations in liquid-vapor systems.

Volume Subject Area:
Boiling Heat Transfer
Topics:
Surface tension, Engineering simulation, Simulation, Bubbles, Density, Fluids, Molecular dynamics, Particulate matter, Pressure, Vapors
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 by ASME
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