Approximate non-conformal potential - Revision history

Carl McBride: Added a recent publication

2016-06-15T14:12:37Z

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← Older revision		Revision as of 16:12, 15 June 2016
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	The '''Approximate non-conformal potential''' 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>):		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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	*[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/10.1063/1.4926464 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]]

Carl McBride: /* References */ Added a recent publication

2015-09-21T16:00:36Z

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← Older revision		Revision as of 18:00, 21 September 2015
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	*[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/10.1021/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)]


	[[Category: Models]]		[[Category: Models]]

Carl McBride: Added a publication

2015-01-22T17:03:28Z

Added a publication

← Older revision		Revision as of 19:03, 22 January 2015
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	The '''Approximate non-conformal potential''' is given by (Eq 2.16 in <ref>[http://dx.doi.org/10.1021/jp981040g 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)]</ref>):		The '''Approximate non-conformal potential''' 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, 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)]		*[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 J. 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/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)]

	[[Category: Models]]		[[Category: Models]]

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The '''Approximate non-conformal potential''' is given by (Eq 2.16 in <ref>[http://dx.doi.org/10.1021/jp981040g 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)]</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>

where
* <math>z := r/r_m</math>
* <math> a </math> is the hard-core diameter in units of <math>r_m</math>
* <math> \epsilon </math> is the well depth
* <math>S</math> is a softness parameter

==Second virial coefficient==
The [[second virial coefficient]] is given in <ref>[http://dx.doi.org/10.1063/1.4905663 Alfredo González-Calderón and Adrián Rocha-Ichante "Second virial coefficient of a generalized Lennard-Jones potential", Journal of Chemical Physics '''142''' 034305 (2015)]</ref>.

==References==
<references/>
;Related reading
*[http://dx.doi.org/10.1021/jp953295p 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)]
*[http://dx.doi.org/10.1021/jp9831684 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)]
*[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)]

[[Category: Models]]