Approximate non-conformal potential: Difference between revisions
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The '''Approximate non-conformal potential''' is given by (Eq 2.16 in <ref>[http://dx.doi.org/10.1021/jp981040g | The '''Approximate non-conformal potential''' ('''ANC''') is given by (Eq 2.16 in <ref>[http://dx.doi.org/10.1021/jp981040g 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)]</ref>): | ||
:<math>\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} </math> | :<math>\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} </math> | ||
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<references/> | <references/> | ||
;Related reading | ;Related reading | ||
*[http://dx.doi.org/10.1021/jp953295p Fernando del Río, | *[http://dx.doi.org/10.1021/jp953295p 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)] | ||
*[http://dx.doi.org/10.1021/jp9831684 Fernando del Río and | *[http://dx.doi.org/10.1021/jp9831684 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)] | ||
*[http://dx.doi.org/10.1021/jp011321f 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)] | |||
*[http://dx.doi.org/10.1080/00268970500151551 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)] | *[http://dx.doi.org/10.1080/00268970500151551 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)] | ||
*[http://dx.doi.org/10.1063/1.4926464 P. Orea, A. Romero-Martínez, E. Basurto, C. A. Varga and G. Odriozola "Corresponding states law for a generalized Lennard-Jones potential", Journal of Chemical Physics '''143''' 024504 (2015)] | |||
*[http://dx.doi.org/10.1063/1.4953002 M. Fuentes-Herrera, J. A. Moreno-Razo, O. Guzmán, J. López-Lemus and B. Ibarra-Tandi "Separating the effects of repulsive and attractive forces on the phase diagram, interfacial, and critical properties of simple fluids", Journal of Chemical Physics '''144''' 214502 (2016)] | |||
[[Category: Models]] | [[Category: Models]] | ||
Latest revision as of 16:12, 15 June 2016
The Approximate non-conformal potential (ANC) 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[edit]
The second virial coefficient is given in [2].
References[edit]
- ↑ 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)
- P. Orea, A. Romero-Martínez, E. Basurto, C. A. Varga and G. Odriozola "Corresponding states law for a generalized Lennard-Jones potential", Journal of Chemical Physics 143 024504 (2015)
- M. Fuentes-Herrera, J. A. Moreno-Razo, O. Guzmán, J. López-Lemus and B. Ibarra-Tandi "Separating the effects of repulsive and attractive forces on the phase diagram, interfacial, and critical properties of simple fluids", Journal of Chemical Physics 144 214502 (2016)