Kirkwood-Buff theory of solutions: Difference between revisions
Jump to navigation
Jump to search
Carl McBride (talk | contribs) (→References: Added a recent publication) |
Carl McBride (talk | contribs) m (→References: Added a recent publication) |
||
| Line 11: | Line 11: | ||
*[http://dx.doi.org/10.1063/1.4964779 R. Cortes-Huerto, K. Kremer and R. Potestio "Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations", Journal of Chemical Physics '''145''' 141103 (2016)] | *[http://dx.doi.org/10.1063/1.4964779 R. Cortes-Huerto, K. Kremer and R. Potestio "Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations", Journal of Chemical Physics '''145''' 141103 (2016)] | ||
*[https://doi.org/10.1063/1.5011696  David M. Rogers "Extension of Kirkwood-Buff theory to the canonical ensemble", Journal of Chemical Physics '''148''' 054102 (2018)] | *[https://doi.org/10.1063/1.5011696  David M. Rogers "Extension of Kirkwood-Buff theory to the canonical ensemble", Journal of Chemical Physics '''148''' 054102 (2018)] | ||
*[https://doi.org/10.1080/00268976.2018.1434908 Noura Dawass, Peter Krüger, Jean-Marc Simon & Thijs J. H. Vlugt "Kirkwood–Buff integrals of finite systems: shape effects", Molecular Physics '''116''' pp. 1573-1580 (2018)] | |||
[[category: statistical mechanics]] | [[category: statistical mechanics]] | ||
Latest revision as of 11:54, 3 May 2018
|
This article is a 'stub' page, it has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add sufficient material to this article then please remove the {{Stub-general}} template from this page. |
Kirkwood-Buff integrals [1]
![{\displaystyle G_{\alpha \beta }=\int _{0}^{\infty }\left[{\mathrm {g} }_{\alpha \beta }^{(2)}({\mathbf {r} })-1\right]4\pi r^{2}~d{\mathbf {r} }}](https://wikimedia.org/api/rest_v1/media/math/render/svg/78077829228af46898df7c81343c9b466fc4bffd)
where is the pair distribution function.
References[edit]
Related reading
- A. Ben-Naim "Inversion of the Kirkwood–Buff theory of solutions: Application to the water–ethanol system", Journal of Chemical Physics 67 pp. 4884-4890 (1977)
- Arieh Ben-Naim "The Kirkwood–Buff integrals for one-component liquids" Journal of Chemical Physics 128 234501 (2008)
- Elizabeth A. Ploetz, Nikolaos Bentenitis, and Paul E. Smith "Kirkwood–Buff integrals for ideal solutions", Journal of Chemical Physics 132 164501 (2010)
- R. Cortes-Huerto, K. Kremer and R. Potestio "Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations", Journal of Chemical Physics 145 141103 (2016)
-  David M. Rogers "Extension of Kirkwood-Buff theory to the canonical ensemble", Journal of Chemical Physics 148 054102 (2018)
- Noura Dawass, Peter Krüger, Jean-Marc Simon & Thijs J. H. Vlugt "Kirkwood–Buff integrals of finite systems: shape effects", Molecular Physics 116 pp. 1573-1580 (2018)