Stockmayer potential

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The Stockmayer potential consists of the Lennard-Jones model with an embedded point dipole. Thus the Stockmayer potential becomes:

 \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)

where:

If one defines the reduced dipole moment, μ *

\mu^* := \sqrt{\frac{\mu^2}{4\pi\epsilon_0\epsilon \sigma^3}}

one can rewrite the expression as

 \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\}

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

[edit] Critical properties

In the range 0 \leq \mu^* \leq 2.45 (Ref. 1)

T_c^* = 1.313 + 0.2999\mu^{*2} -0.2837 \ln(\mu^{*2} +1)
\rho_c^* = 0.3009 - 0.00785\mu^{*2} - 0.00198\mu^{*4}
P_c^* = 0.127 + 0.0023\mu^{*2}

[edit] 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)
40px-Stop hand nuvola.svg.png This page contains numerical values and/or equations. If you intend to use ANY of the numbers or equations found in SklogWiki in any way, you MUST take them from the original published article or book, and cite the relevant source accordingly.
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