Article

Surface tension of an electrolyte-air interface: a Monte Carlo study.

Departamento de Física, Instituto de Física e Matemática, Universidade Federal de Pelotas, Caixa Postal 354, CEP 96010-900, Pelotas, RS, Brazil.
Journal of Physics Condensed Matter (impact factor: 2.55). 07/2012; 24(28):284115. DOI:10.1088/0953-8984/24/28/284115 pp.284115
Source: PubMed

ABSTRACT 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.

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Keywords

boundary conditions
 
calculate
 
counter-image charges
 
density profiles
 
excess surface tension
 
implicit solvent
 
Monte Carlo
 
new method
 
spherical drop geometry
 
surface tension
 
theoretical calculations
 

Alexandre Diehl