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A Forcebalance Monte Carlo Simulation of the Surface

Summary: A Force­balance Monte Carlo
Simulation of the Surface
Tension of a Hard­sphere Fluid
Phil Attard and Grant A. Moule,
Department of Applied Mathematics,
Research School of Physical Sciences and Engineering,
Australian National University,
Canberra, Australian Capital Territory, Australia,
P. Attard and G. Moule, Mol. Phys. 78, 943­959
Abstract. A force­balance simulation method is in­
troduced, where the volume of the cell and the size
and shape of inhomogeneities fluctuate in the presence
of external potentials. Equilibrium corresponds to the
balance of internal and external forces, which allows
mechanical quantities such as the pressure and surface
tension to be found directly. The technique also en­
ables the geometry to be changed while the confined
fluid remains in equilibrium with a bulk reservoir. Here


Source: Attard, Phil - School of Chemistry, University of Sydney


Collections: Chemistry