Curvature dependent surface tension from a simulation of a cavity in a Lennard-Jones liquid close to coexistence
Date
2001
Authors
Moody, M.P.
Attard, P.J.
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Journal article
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Journal of Chemical Physics, 2001; 115(19):8967-8977
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<jats:p>Monte Carlo simulations have been used to calculate the surface tension of a planar liquid–vapor interface of a Lennard-Jones fluid using a new cylindrical truncation correction procedure. A bubble was mimicked by simulating a Lennard-Jones liquid close to coexistence containing a single immobile hard-sphere cavity. From the density profile of this system the curvature dependent surface tension has been estimated via calculation of the Helmholtz free energy of the system and separately using a large cavity contact density expansion. Evidence is presented that the Tolman length becomes increasingly negative as the critical temperature is approached and possibly changes sign.</jats:p>
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Copyright American Institute of Physics 2001