Hard core Yukawa potential: Difference between revisions
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'''Related reading''' | '''Related reading''' | ||
*[http://dx.doi.org/10.1063/1.3281416 J. Torres-Arenas, L. A. Cervantes, A. L. Benavides, G. A. Chapela, and F. del Río "Discrete perturbation theory for the hard-core attractive and repulsive Yukawa potentials", Journal of Chemical Physics '''132''' 034501 (2010)] | *[http://dx.doi.org/10.1063/1.3281416 J. Torres-Arenas, L. A. Cervantes, A. L. Benavides, G. A. Chapela, and F. del Río "Discrete perturbation theory for the hard-core attractive and repulsive Yukawa potentials", Journal of Chemical Physics '''132''' 034501 (2010)] | ||
*[http://dx.doi.org/10.1063/1.3357352 Pedro Orea, Carlos Tapia-Medina, Davide Pini, and Albert Reiner "Thermodynamic properties of short-range attractive Yukawa fluid: Simulation and theory", Journal of Chemical Physics '''132''' 114108 (2010)] | |||
[[Category: Models]] | [[Category: Models]] | ||
Revision as of 11:15, 18 March 2010
The hard core Yukawa potential has two forms, the attractive Yukawa 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 \Phi_{12}\left( r \right) = \left\{ \begin{array}{lll} \infty & ; & r < \sigma \\ - \left( \frac{ \epsilon \sigma }{r}\right) \exp \left[- \kappa \left( \frac{r}{\sigma} - 1 \right) \right] & ; & r \ge \sigma \end{array} \right. }
and the repulsive form
- 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}\left( r \right) = \left\{ \begin{array}{lll} \infty & ; & r < \sigma \\ \left( \frac{ \epsilon \sigma }{r}\right) \exp \left[- \kappa \left( \frac{r}{\sigma} - 1 \right) \right] & ; & r \ge \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\left( r \right) } 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 r := |\mathbf{r}_1 - \mathbf{r}_2|} is the distance between site 1 and site 2, 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 \sigma } is the hard diameter, 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 } is the energy well depth (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 > 0 } ), 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 \kappa } is a parameter that controls the interaction range (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 \kappa > 0 } ).
The repulsive form has been used to study charge-stabilised colloid-colloid interactions.
Critical point
For the attractive form of the potential, from a study of the law of corresponding states, one has (Eq. 3 in [1])
- 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 P_c = 0.0228 + 0.0742 T_c}
and (Eq. 4)
- 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 \rho_c = 0.2534 + 0.071 \frac{1}{T_c}} .
The repulsive form of the potential has no critical point.
Triple points
The triple points for this model have been studied by Azhar and co-workers [2].
Virial coefficients
For the attractive form of the potential the virial coefficients have been calculated by Naresh and Singh [3].
Phase diagram
- Main article: Phase diagram of the Yukawa potential
Two-term Yukawa potentials
Both the attractive and the repulsive form have been combined to produce the hard-sphere plus two Yukawa potential (H2Y) [4].
References
- ↑ Pedro Orea and Yurko Duda "On the corresponding states law of the Yukawa fluid", Journal of Chemical Physics 128 134508 (2008)
- ↑ Fouad El Azhar, Marc Baus, Jean-Paul Ryckaert and Evert Jan Meijer "Line of triple points for the hard-core Yukawa model: A computer simulation study", Journal of Chemical Physics 112 pp. 5121- (2000)
- ↑ D.J. Naresh and Jayant K. Singh "Virial coefficients of hard-core attractive Yukawa fluids", Fluid Phase Equilibria 285 pp. 36-43 (2009)
- ↑ Lloyd L. Lee, Michael C. Hara, Steven J. Simon, Franklin S. Ramos, Andrew J. Winkle, and Jean-Marc Bomont "Crystallization limits of the two-term Yukawa potentials based on the entropy criterion", Journal of Chemical Physics 132 074505 (2010)
Related reading
- J. Torres-Arenas, L. A. Cervantes, A. L. Benavides, G. A. Chapela, and F. del Río "Discrete perturbation theory for the hard-core attractive and repulsive Yukawa potentials", Journal of Chemical Physics 132 034501 (2010)
- Pedro Orea, Carlos Tapia-Medina, Davide Pini, and Albert Reiner "Thermodynamic properties of short-range attractive Yukawa fluid: Simulation and theory", Journal of Chemical Physics 132 114108 (2010)