Soft-core square well model: Difference between revisions
Carl McBride (talk | contribs) (New page: {{Stub-general}} The '''soft-core square well model''' is given by :<math> \Phi_{12}\left( r \right) = \left\{ \begin{array}{lcc} 4 \epsilon \left[ \left(\frac{\sigma}{r} \right)^{n}- \...) |
m (Better defined r) |
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where <math>\Phi_{12}(r)</math> is the [[intermolecular pair potential]], <math>r_m = 2^{2/n}\sigma</math>, <math>\epsilon</math> is the well depth, <math>r</math> is the distance, σ is the hard diameter | where <math>\Phi_{12}(r)</math> is the [[intermolecular pair potential]], <math>r_m = 2^{2/n}\sigma</math>, <math>\epsilon</math> is the well depth, <math>r</math> is the distance between site 1 and site 2, i.e. <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math>, σ is the hard diameter | ||
and λ > 1. | and λ > 1. | ||
==References== | ==References== | ||
#[http://dx.doi.org/10.1080/00268970701832389 Mohammad Shokouhi and Gholam Abbas Parsafar "The effect of steepness of soft-core square-well potential model on some fluid properties", Molecular Physics '''106''' pp. 103-112 (2008)] | #[http://dx.doi.org/10.1080/00268970701832389 Mohammad Shokouhi and Gholam Abbas Parsafar "The effect of steepness of soft-core square-well potential model on some fluid properties", Molecular Physics '''106''' pp. 103-112 (2008)] | ||
[[category: models]] | [[category: models]] | ||
Latest revision as of 15:00, 17 July 2008
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The soft-core square well model is given by
- 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}{lcc} 4 \epsilon \left[ \left(\frac{\sigma}{r} \right)^{n}- \left( \frac{\sigma}{r}\right)^{n/2} \right] & ; & r \leq r_m \\ - \epsilon & ; &r_m < r \leq \lambda \sigma \\ 0 & ; & r >\lambda \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 r_m = 2^{2/n}\sigma} , 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 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 r} is the distance between site 1 and site 2, i.e. 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|} , σ is the hard diameter and λ > 1.