Parameterising the surface free energy and excess adsorption of a hard-sphere fluid at a planar hard wall

@article{Davidchack2014ParameterisingTS,
  title={Parameterising the surface free energy and excess adsorption of a hard-sphere fluid at a planar hard wall},
  author={Ruslan L. Davidchack and Brian B. Laird and Roland Roth},
  journal={Molecular Physics},
  year={2014},
  volume={113},
  pages={1091 - 1096}
}
The inhomogeneous structure of a fluid at a wall can be characterised in several ways. Within a thermodynamic description, the surface free energy γ and the excess adsorption Γ are of central importance. For theoretical studies, closed expression of γ and Γ can be very valuable; however, even for a well-studied model system such as a hard-sphere fluid at a planar hard wall, the accuracy of existing expressions for γ and Γ, compared to precise computer simulation data, can still be improved… 
4 Citations
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A new benchmark of accuracy is achieved for the calculation of surface thermodynamics properties such as surface adsorption Γ and the surface free energy (or surface tension), γ by combining the inhomogeneous virial series with simulation results.
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