Methanol
From SklogWiki
|
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. |
| |
Methanol (CH3OH)
Contents |
[edit] Models
[edit] Jorgensen model
[edit] Leeuwen-Smit model
L1
[edit] Virial coefficients
The virial coefficients for various models of methanol have been calculated using Mayer sampling Monte Carlo
[edit] Phase diagram
The phase diagram (pressure-temperature plane) for methanol using the OPLS force field parameters has been calculated by Gonzalez Salgado and Vega
[edit] References
- ↑ William L. Jorgensen "Optimized intermolecular potential functions for liquid alcohols", Journal of Physical Chemistry 90 pp. 1276-1284 (1986)
- ↑ Monica E. van Leeuwen and Berend Smit "Molecular Simulation of the Vapor-Liquid Coexistence Curve of Methanol", Journal of Physical Chemistry 99 pp. 1831-1833 (1995)
- ↑ Katherine R. S. Shaul, Andrew J. Schultz, and David A. Kofke "Mayer-sampling Monte Carlo calculations of methanol virial coefficients", Molecular Simulation 36 pp. 1282-1288 (2010)
- ↑ D. Gonzalez Salgado and C. Vega "Melting point and phase diagram of methanol as obtained from computer simulations of the OPLS model", Journal of chemical Physics 132 094505 (2010)
Related reading
- Samantha Weerasinghe and Paul E. Smith "A Kirkwood−Buff Derived Force Field for Methanol and Aqueous Methanol Solutions", Journal of Physical Chemistry B 109 pp. 15080–15086 (2005)
- D. Costa, G. Munaó, F. Saija and C. Caccarno "Reference interaction site model and molecular dynamics study of structure and thermodynamics of methanol", Journal of Chemical Physics 127 224501 (2007)
- Maximiliano Valdéz-González, Humberto Saint-Martin, Jorge Hernández-Cobos, Regla Ayala, Enrique Sanchez-Marcos, and Ivan Ortega-Blake "Liquid methanol Monte Carlo simulations with a refined potential which includes polarizability, nonadditivity, and intramolecular relaxation", Journal of Chemical Physics 127 224507 (2007)
- Alina Ciach and Aurélien Perera "A simple lattice model for the microstructure of neat alcohols: Application to liquid methanol", Journal of Chemical Physics 131 044505 (2009)
- Johann-Philipp Crusius, Robert Hellmann and Andreas Heintz "The Kirkwood correlation factor of dense methanol as a function of temperature and pressure under isochoric conditions and its statistical mechanical treatment", Molecular Physics 109 pp. 1749-1757 (2011)
- Jane R. Allison, Sereina Riniker, and Wilfred F. van Gunsteren "Coarse-grained models for the solvents dimethyl sulfoxide, chloroform, and methanol", Journal of Chemical Physics 136 054505 (2012)
