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The '''Stockmayer potential''' is a mathematical model for representing the interactions between pairs of [[atoms]] or [[molecules]]. It consists of the [[Lennard-Jones potential]] with an embedded point dipole. Thus the Stockmayer potential becomes:


:<math> \Phi_{12}(r, \theta_1, \theta_2, \phi) = 4 \epsilon \left[ \left(\frac{\sigma}{r} \right)^{12}-  \left( \frac{\sigma}{r}\right)^6 \right] - \frac{\mu_1 \mu_2}{4\pi \epsilon_0 r^3} \left(2 \cos \theta_1 \cos \theta_2 - \sin \theta_1 \sin \theta_2 \cos \phi\right) </math>


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where:
* <math>r := |\mathbf{r}_1 - \mathbf{r}_2|</math>
* <math> \Phi(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> \epsilon_0 </math> is the [[vacuum permittivity]]
* <math>\mu</math> is the dipole moment
* <math>\theta_1,\theta_2 </math> is the inclination of the two dipole axes with respect to the intermolecular axis.
* <math>\phi</math> is the azimuth angle between the two dipole moments
If one defines the reduced dipole moment, <math>\mu^*</math>
 
:<math>\mu^* := \sqrt{\frac{\mu^2}{4\pi\epsilon_0\epsilon \sigma^3}}</math>
 
one can rewrite the expression as
:<math> \Phi(r, \theta_1, \theta_2, \phi) = \epsilon \left\{4\left[ \left(\frac{\sigma}{r} \right)^{12}-  \left( \frac{\sigma}{r}\right)^6 \right] - \mu^{*2} \left(2 \cos \theta_1 \cos \theta_2 - \sin \theta_1 \sin \theta_2 \cos \phi\right)  \left(\frac{\sigma}{r} \right)^{3} \right\}</math>
 
For this reason the potential is sometimes known as the Stockmayer 12-6-3 potential.
 
==Critical properties==
In the range <math>0 \leq \mu^* \leq 2.45</math> (Ref. 1)
:<math>T_c^* = 1.313 + 0.2999\mu^{*2} -0.2837 \ln(\mu^{*2} +1)</math>
:<math>\rho_c^* = 0.3009 - 0.00785\mu^{*2} - 0.00198\mu^{*4}</math>
:<math>P_c^* = 0.127 + 0.0023\mu^{*2}</math>
 
==References==
#[http://dx.doi.org/10.1080/00268979400100294 M. E. Van Leeuwe "Deviation from corresponding-states behaviour for polar fluids", Molecular Physics '''82''' pp. 383-392 (1994)]
#[http://dx.doi.org/10.1103/PhysRevE.75.011506  Reinhard Hentschke, Jörg Bartke, and Florian Pesth "Equilibrium polymerization and gas-liquid critical behavior in the Stockmayer fluid", Physical Review E '''75''' 011506 (2007)]
;Attribution
{{CCBYSASource|sourcepath=http://www.sklogwiki.org/SklogWiki/index.php/Stockmayer_potential|sourcearticle=Stockmayer potential page on SklogWiki|revision=400123728}}
[[Category:Potentials]]
[[Category:Theoretical chemistry]]
[[Category:Molecular physics]]

Revision as of 02:15, 19 October 2013

The Stockmayer potential is a mathematical model for representing the interactions between pairs of atoms or molecules. It consists of the Lennard-Jones potential with an embedded point dipole. Thus the Stockmayer potential becomes:

where:

If one defines the reduced dipole moment,

one can rewrite the expression as

For this reason the potential is sometimes known as the Stockmayer 12-6-3 potential.

Critical properties

In the range (Ref. 1)

References

  1. M. E. Van Leeuwe "Deviation from corresponding-states behaviour for polar fluids", Molecular Physics 82 pp. 383-392 (1994)
  2. Reinhard Hentschke, Jörg Bartke, and Florian Pesth "Equilibrium polymerization and gas-liquid critical behavior in the Stockmayer fluid", Physical Review E 75 011506 (2007)
Attribution

Template:CCBYSASource