Computer simulation of a gas–liquid surface. Part 1

Gustavo A. Chapela; G. Saville; S. Thompson; J. S. Rowlinson

DOI:10.1039/F29777301133

Corpus ID: 93123110

Computer simulation of a gas–liquid surface. Part 1

@article{Chapela1977ComputerSO,
  title={Computer simulation of a gas–liquid surface. Part 1},
  author={Gustavo A. Chapela and G. Saville and S. Thompson and J. S. Rowlinson},
  journal={Journal of the Chemical Society, Faraday Transactions},
  year={1977},
  volume={73},
  pages={1133-1144}
}

Gustavo A. Chapela, G. Saville, +1 author J. S. Rowlinson
Published 1977
Chemistry
Journal of the Chemical Society, Faraday Transactions

The gas–liquid surface of a system of Lennard-Jones (12, 6) molecules has been simulated by Monte Carlo and by Molecular Dynamic methods at temperatures which span most of the liquid range. For systems of 255 molecules the two methods lead to similar results and this agreement confirms that the density profile, as a function of height, falls monotonically from the density of the bulk liquid to that of the gas. The thickness of the surface layer is sensitive to the surface area, and appears to… Expand

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