Keesom potential

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

where:

  • is the intermolecular pair potential between two particles at a distance r;
  • is the diameter (length), i.e. the value of at  ;
  •  : well depth (energy)
  • is the dipole moment
  • is the temperature
  • is the Boltzmann constant
  • is the permitiviy of free space.


For dipoles disolved in a dielectric medium, this equation may be generalized by including the dielectric constant of the medium within the term.

References

  1. 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)