期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 24, 期 28, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/24/28/284115
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资金
- CNPq
- Fapergs
- INCT-FCx
- US-AFOSR [FA9550-09-1-0283]
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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