RT Journal Article
T1 Communications : evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tension
A1 Sampayo, José G.
A1 Malijevský, Alexandr
A1 Müller, Erich A.
A1 Miguel Agustino, Enrique de
A1 Jackson, George
AB Test-area deformations are used to analyze vapor-liquid interfaces of Lennard-Jones particles bymolecular dynamics simulation. For planar vapor-liquid interfaces the change in free energy iscaptured by the average of the corresponding change in energy, the leading-order contribution. Thisis consistent with the commonly used mechanical  pressure-tensor  route for the surface tension. Bycontrast for liquid drops, one finds a large second-order contribution associated with fluctuations inenergy. Both the first- and second-order terms make comparable contributions, invalidating themechanical relation for the surface tension of small drops. The latter is seen to increase above theplanar value for drop radii of  8 particle diameters, followed by an apparent weak maximum andslow decay to the planar limit, consistent with a small negative Tolman length.
PB American Institute of Physics
SN 0021-9606
SN 1089-7690 (electrónico)
YR 2010
FD 2010
LK http://hdl.handle.net/10272/9534
UL http://hdl.handle.net/10272/9534
LA eng
NO Sampayo, J.G., Malijevský, A., Müller, E.A., Miguel Agustino, E.: "Communications : evidence for the role of fluctuations in the thermodynamics of nanoscale drops and the implications in computations of the surface tension". Journal of Chemical Physics. Vol. 132, 141101 (2010). ISSN 0021-9606
DS Repositorio Institucional de la Universidad de Huelva
RD 30 may 2026