Approximate non-conformal potential

The Approximate non-conformal potential is given by (Eq 2.16 in ):

$\Phi _{12}(z)=\epsilon \left[{\frac {1-a}{(z^{3}/S+1-1/S)^{1/3}-a}}\right]^{12}-2\epsilon \left[{\frac {1-a}{(z^{3}/S+1-1/S)^{1/3}-a}}\right]^{6}$

where

• $z:=r/r_{m}$
• $a$ is the hard-core diameter in units of $r_{m}$
• $\epsilon$ is the well depth
• $S$ is a softness parameter

Second virial coefficient

The second virial coefficient is given in .

References

Related reading

• Fernando del Río, Jesús Eloy Ramos, Alejandro Gil-Villegas, and Ian A. McLure "Collision Diameters, Interaction Potentials, and Virial Coefficients of Small Quasi-Spherical Molecules", Journal of Physical Chemistry B 100 9104-9115 (1996)
• Fernando del Río and Jesús Eloy Ramos "Nonconformal Potentials and Second Virial Coefficients in Molecular Fluids. 1. Theory", Journal of Physical Chemistry B 102 pp. 10568-10575 (1998)
• Orlando Guzmán and Fernando del Río "Theoretical Equation of State of Dense Nonconformal Fluids from Effective Potentials. 1. Applications to Model Systems", Journal of Physical Chemistry B 105 pp. 8220-8229 (2001)
• Jesús Eloy Ramos "Viscosity and thermal conductivity from non-conformal potentials. I Theory and application to noble gases", Molecular Physics 103 pp. 2323-2334 (2005)