Mie potential: Difference between revisions
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Note that when <math>n=12</math> and <math>m=6</math> this becomes the [[Lennard-Jones model]]. | Note that when <math>n=12</math> and <math>m=6</math> this becomes the [[Lennard-Jones model]]. | ||
==(14,7) model== | ==(14,7) model== | ||
<ref>[http://dx.doi.org/10.1063/1.2901164 Afshin Eskandari Nasrabad "Monte Carlo simulations of thermodynamic and structural properties of Mie(14,7) fluids", Journal of Chemical Physics '''128''' 154514 (2008)]</ref> | |||
<ref>[http://dx.doi.org/10.1063/1.2953331 Afshin Eskandari Nasrabad, Nader Mansoori Oghaz, and Behzad Haghighi "Transport properties of Mie(14,7) fluids: Molecular dynamics simulation and theory", Journal of Chemical Physics '''129''' 024507 (2008)]</ref> | |||
==Second virial coefficient== | ==Second virial coefficient== | ||
The [[second virial coefficient]] and the Vliegenthart–Lekkerkerker relation <ref>[http://dx.doi.org/10.1063/1.3578469 V. L. Kulinskii "The Vliegenthart–Lekkerkerker relation: The case of the Mie-fluids", Journal of Chemical Physics '''134''' 144111 (2011)]</ref>. | The [[second virial coefficient]] and the Vliegenthart–Lekkerkerker relation <ref>[http://dx.doi.org/10.1063/1.3578469 V. L. Kulinskii "The Vliegenthart–Lekkerkerker relation: The case of the Mie-fluids", Journal of Chemical Physics '''134''' 144111 (2011)]</ref>. | ||
Revision as of 16:04, 14 April 2011
The Mie potential was proposed by Gustav Mie in 1903 [1]. It is given by
![{\displaystyle \Phi _{12}(r)=\left({\frac {n}{n-m}}\right)\left({\frac {n}{m}}\right)^{m/(n-m)}\epsilon \left[\left({\frac {\sigma }{r}}\right)^{n}-\left({\frac {\sigma }{r}}\right)^{m}\right]}](https://wikimedia.org/api/rest_v1/media/math/render/svg/a560ce2bd238cf1a42ca7c69fe05109929428913)
where:
- is the intermolecular pair potential between two particles at a distance r;
- is the value of at ;
- : well depth (energy)
Note that when and this becomes the Lennard-Jones model.
(14,7) model
Second virial coefficient
The second virial coefficient and the Vliegenthart–Lekkerkerker relation [4].
References
- ↑ Gustav Mie "Zur kinetischen Theorie der einatomigen Körper", Annalen der Physik 11 pp. 657-697 (1903) (check this reference)
- ↑ Afshin Eskandari Nasrabad "Monte Carlo simulations of thermodynamic and structural properties of Mie(14,7) fluids", Journal of Chemical Physics 128 154514 (2008)
- ↑ Afshin Eskandari Nasrabad, Nader Mansoori Oghaz, and Behzad Haghighi "Transport properties of Mie(14,7) fluids: Molecular dynamics simulation and theory", Journal of Chemical Physics 129 024507 (2008)
- ↑ V. L. Kulinskii "The Vliegenthart–Lekkerkerker relation: The case of the Mie-fluids", Journal of Chemical Physics 134 144111 (2011)
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