Keesom potential: Difference between revisions

Revision as of 14:35, 15 July 2008

The Keesom potential is a Boltzmann average over the dipolar section of the Stockmayer potential, resulting in

\Phi _{12}(r)=4\epsilon \left[\left({\frac {\sigma }{r}}\right)^{12}-\left({\frac {\sigma }{r}}\right)^{6}\right]-{\frac {\mu _{1}^{2}\mu _{2}^{2}}{3k_{B}Tr_{12}^{6}}}

where:

$\Phi _{12}(r)$ is the intermolecular pair potential between two particles at a distance r;
$\sigma$ is the diameter (length), i.e. the value of $r$ at $\Phi (r)=0$ ;
$\epsilon$ : well depth (energy)
$\mu$ is the dipole moment
$T$ is the temperature
$k_{B}$ is the Boltzmann constant

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 {{Stub-general}}
+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{\mu^2_1 \mu^2_2}{3k_BT  r_{12}^6}</math>
+where:
+* <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> \epsilon </math> : well depth (energy)
+* <math>\mu</math> is the [[dipole moment]]
+* <math>T</math> is the [[temperature]]
+* <math>k_B</math> is the [[Boltzmann constant]]
 ==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)]
 [[category:models]]