SALR potential
The SALR ( short-range attractive - long-range repulsive) potential is often expressed as a hard core of 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 \sigma } , along with combination of two Yukawa potentials:
- 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 \\ \epsilon_r \left(\frac{ \sigma }{r}\right) \exp \left[- \kappa_r \left( \frac{r}{\sigma} - 1 \right) \right] - \epsilon_a \left( \frac{ \sigma }{r}\right) \exp \left[- \kappa_a \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.
The 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 }
control is the energy of the repulsive and attractive parts, whilst the
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controls the interaction range.
This potential also goes by the names of the hard-sphere plus two Yukawa (H2Y) or hard-core double-Yukawa (HCDY) potential [2][3][4].
References
- ↑ Martin B. Sweatman, Rui Fartaria, and Leo Lue "Cluster formation in fluids with competing short-range and long-range interactions", nal of Chemical Physics 140 124508 (2014)
- ↑ Yang-Zheng Lin, Yi-Gui Li, Jiu-Fang Lu and Wei Wu "Monte Carlo simulation for the hard-core two-Yukawa fluids and test of the two-Yukawa equation of state", Journal of Chemical Physics 117 10165 (2002)
- ↑ 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)
- ↑ J. Montes, M. Robles and M. López de Haro "Equation of state and critical point behavior of hard-core double-Yukawa fluids", Journal of Chemical Physics 144 084503 (2016)