Approximate non-conformal potential
The Approximate non-conformal potential is given by (Eq 2.16 in [1]):
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\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} }
where
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle z := r/r_m}
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle a } is the hard-core diameter in units of
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \epsilon } is the well depth
- Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle S} is a softness parameter
Second virial coefficient
The second virial coefficient is given in [2].
References
- ↑ Jesús 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, 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)