An understanding of the energetics of interfaces is of fundamental and significant importance in various fields of science and engineering. Calculation of the surface tension of planar interfaces by computer simulations is straightforward and hence numerous computer simulation investigations have been carried out on this topic. However, the applicability of some of the existing methods for calculation of the surface tension of curved interfaces has been questioned. In this study, we examine different molecular simulation techniques to calculate the surface tension of highly curved interfaces. These techniques include test area simulation method (Gloor et al., J. Chem. Phys. 2005, 123, 13470), nested sampling method (Nielsen, J. Chem. Phys. 2013, 139, 124104), mean field approach (Chiu et al., J. Chem. Phys. 2010, 132, 054706) and virial theorem (Nakamura et al., J. Chem. Phys. 2011, 135, 094107).

Molecular simulation study of the surface tension of curved interfaces

247th National Meeting (2014)

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