Contact angle dependence on the fluid-wall dispersive energy

Details Contact angle dependence on the fluid-wall dispersive energy Contact angle dependence on the fluid-wall dispersive energy

2010-01-15

arxiv.org/abs/1001.2681v3

Langmuir 26, Number 13, 10913-10917 (2010)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

Scientific paper

10.1021/la1008363

Vapor-liquid menisci of the truncated and shifted Lennard-Jones fluid between parallel planar walls are investigated by molecular dynamics simulation. Thereby, the characteristic energy of the unlike dispersive interaction between fluid molecules and wall atoms is systematically varied to determine its influence on the contact angle. The temperature is varied as well, covering most of the range between the triple point temperature and the critical temperature of the bulk fluid. The transition between obtuse and acute angles is found to occur at a temperature-independent magnitude of the fluid-wall dispersive interaction energy. On the basis of the present simulation results, fluid-wall interaction potentials can be adjusted to contact angle measurements.

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