Approximate non-conformal potential: Difference between revisions
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Revision as of 18:56, 22 January 2015
The Approximate non-conformal potential is given by (Eq 2.16 in [1]):
![{\displaystyle \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}}](https://wikimedia.org/api/rest_v1/media/math/render/svg/57f57c6529abccc518c1d12e840eed2a3fe670a9)
where
- is the hard-core diameter in units of
- is the well depth
- is a softness parameter
Second virial coefficient
The second virial coefficient is given in [2].
References
- ↑ J. Eloy Ramos and Fernando del Río "Nonconformal Potentials and Second Virial Coefficients in Molecular Fluids. II. Applications to Nonspherical Molecules", Journal of Physical Chemistry B 102 pp. 10576-10585 (1998)
- ↑ Alfredo González-Calderón and Adrián Rocha-Ichante "Second virial coefficient of a generalized Lennard-Jones potential", Journal of Chemical Physics 142 034305 (2015)
- Related reading
- Fernando del Río, J. 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 J. Eloy Ramos "Nonconformal Potentials and Second Virial Coefficients in Molecular Fluids. 1. Theory", Journal of Physical Chemistry B 102 pp. 10568-10575 (1998)
- 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)