Square shoulder + square well model: Difference between revisions
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Revision as of 11:41, 25 September 2008
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The Square shoulder + square well model consists, as its name suggests, of a combination of the square shoulder model and the square well model. The model is given by
- Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle \Phi _{12}\left(r\right)=\left\{{\begin{array}{ccc}\infty &;&r<\sigma \\\epsilon _{1}&;&\sigma \leq r<\lambda _{1}\sigma \\-\epsilon _{2}&;&\lambda _{1}\sigma \leq r<\lambda _{2}\sigma \\0&;&r\geq \lambda _{2}\sigma \end{array}}\right.}
where Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \Phi_{12}(r)} is the intermolecular pair potential, Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \epsilon_1} and Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \epsilon_2} are the well depths, Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle r} is the distance between site 1 and site 2 where , σ is the hard core diameter and Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \lambda_1,\lambda_2>1}
Critical points
See Ref. 2.
Liquid-liquid transition
For certain parameter sets the square shoulder + square well model has a liquid-liquid transition.
References
- Andreas Lang, Gerhard Kahl, Christos N Likos, Hartmut Löwen and Martin Watzlawek "Structure and thermodynamics of square-well and square-shoulder fluids", Journal of Physics: Condensed Matter 11 pp. 10143-10161 (1999)
- W. Rzysko, O. Pizio, A. Patrykiejew, and S. Sokolowski "Phase diagram of a square-shoulder, square-well fluid revisited", Journal of Chemical Physics 129 124502 (2008)