Surface tension of an electrolyte-air interface: a Monte Carlo study.
We present a new method for calculating the surface tension of an electrolyte-air interface using Monte Carlo (MC) simulations with an implicit solvent in a spherical drop geometry. The boundary conditions for the electric field at the interface are accounted for using image and counter-image charges. The density profiles obtained from the simulations are used to calculate the excess surface tension of the electrolyte-air interface using the Gibbs adsorption isotherm equation. The results are found to be in good agreement with experiments and the earlier theoretical calculations.
Departamento de Física, Instituto de Física e Matemática, Universidade Federal de Pelotas, Caixa Postal 354, CEP 96010-900, Pelotas, RS, Brazil.
Alexandre
A
Diehl
Alexandre P
AP
dos Santos
Yan
Y
Levin