Editing Keesom potential
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The '''Keesom potential''' is a [[Boltzmann average]] over the dipolar section of the [[Stockmayer potential]], resulting in | The '''Keesom potential''' is a [[Boltzmann average]] over the dipolar section of the [[Stockmayer potential]], resulting in | ||
:<math> \Phi_{12}(r) = 4 \epsilon \left[ \left(\frac{\sigma}{r} \right)^{12}- \left( \frac{\sigma}{r}\right)^6 \right] - \frac{1}{3}\frac{\mu^2_1 \mu^2_2}{(4\pi\epsilon_0)^2 k_BT | :<math> \Phi_{12}(r) = 4 \epsilon \left[ \left(\frac{\sigma}{r} \right)^{12}- \left( \frac{\sigma}{r}\right)^6 \right] - \frac{1}{3}\frac{\mu^2_1 \mu^2_2}{(4\pi\epsilon_0)^2 k_BT r_{12}^6}</math> | ||
where: | where: | ||
* <math> \Phi_{12}(r) </math> is the [[intermolecular pair potential]] between two particles at a distance r; | * <math> \Phi_{12}(r) </math> is the [[intermolecular pair potential]] between two particles at a distance r; | ||
* <math> \sigma </math> is the diameter (length), i.e. the value of <math>r</math> at <math> \Phi(r)=0</math> ; | * <math> \sigma </math> is the diameter (length), i.e. the value of <math>r</math> at <math> \Phi(r)=0</math> ; | ||
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* <math>k_B</math> is the [[Boltzmann constant]] | * <math>k_B</math> is the [[Boltzmann constant]] | ||
* <math>\epsilon_0</math> is the permitiviy of free space. | * <math>\epsilon_0</math> is the permitiviy of free space. | ||
For dipoles | |||
For dipoles disolved in a dielectric medium, this equation may be generalized by including the dielectric constant of the medium within the <math>4\pi\epsilon_0</math> term. | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1080/00268979600100661 Richard J. Sadus "Molecular simulation of the vapour-liquid equilibria of pure fluids and binary mixtures containing dipolar components: the effect of Keesom interactions", Molecular Physics '''97''' pp. 979-990 (1996)] | #[http://dx.doi.org/10.1080/00268979600100661 Richard J. Sadus "Molecular simulation of the vapour-liquid equilibria of pure fluids and binary mixtures containing dipolar components: the effect of Keesom interactions", Molecular Physics '''97''' pp. 979-990 (1996)] | ||
[[category:models]] | [[category:models]] |