Editing TIP4P/2005 model of water

Jump to: navigation, search

Warning: You are not logged in. Your IP address will be publicly visible if you make any edits. If you log in or create an account, your edits will be attributed to your username, along with other benefits.

The edit can be undone. Please check the comparison below to verify that this is what you want to do, and then save the changes below to finish undoing the edit.
Latest revision Your text
Line 23: Line 23:
 
==Phase diagram==
 
==Phase diagram==
 
The [[Phase diagrams | phase diagram]] of the TIP4P/2005 model  in the [[Phase diagrams: Pressure-temperature plane |pressure-temperature plane]] (adapted from Fig. 9a of <ref name="multiple2">[http://dx.doi.org/10.1063/1.3156856  J. L. Aragones and C. Vega "Plastic crystal phases of simple water models", Journal of Chemical Physics '''130''' 244504 (2009)]</ref>)
 
The [[Phase diagrams | phase diagram]] of the TIP4P/2005 model  in the [[Phase diagrams: Pressure-temperature plane |pressure-temperature plane]] (adapted from Fig. 9a of <ref name="multiple2">[http://dx.doi.org/10.1063/1.3156856  J. L. Aragones and C. Vega "Plastic crystal phases of simple water models", Journal of Chemical Physics '''130''' 244504 (2009)]</ref>)
is given in a publication by Abascal, Sanz and Vega <ref>[http://dx.doi.org/10.1039/b812832d Jose L. F. Abascal, Eduardo Sanz and Carlos Vega "Triple points and coexistence properties of the dense phases of water calculated using computer simulation",  Physical Chemistry Chemical Physics '''11''' pp.  556-562 (2009)]</ref> (revisited by Conde et. al. <ref>[http://dx.doi.org/10.1063/1.4824627  M. M. Conde , M. A. Gonzalez , J. L. F. Abascal  and C. Vega "Determining the phase diagram of water from direct coexistence simulations: The phase diagram of the TIP4P/2005 model revisited", Journal of Chemical Physics '''139''' 154505 (2013)]</ref>)
+
is given in a publication by Abascal, Sanz and Vega <ref>[http://dx.doi.org/10.1039/b812832d Jose L. F. Abascal, Eduardo Sanz and Carlos Vega "Triple points and coexistence properties of the dense phases of water calculated using computer simulation",  Physical Chemistry Chemical Physics '''11''' pp.  556-562 (2009)]</ref>
 +
:[[Image:TIP4P_2005_phase_diagram.png|400px]]
 
and for negative [[pressure]]s in the publication
 
and for negative [[pressure]]s in the publication
<ref>[http://dx.doi.org/10.1063/1.3182727 M. M. Conde, C. Vega, G. A. Tribello, and B. Slater "The phase diagram of water at negative pressures: Virtual ices", Journal of Chemical Physics '''131''' 034510 (2009)]</ref>.
+
<ref>[http://dx.doi.org/10.1063/1.3182727 M. M. Conde, C. Vega, G. A. Tribello, and B. Slater "The phase diagram of water at negative pressures: Virtual ices", Journal of Chemical Physics '''131''' 034510 (2009)]</ref>
:[[Image:TIP4P_2005_phase_diagram.png|400px]]
 
 
====Liquid-vapour equilibria====
 
====Liquid-vapour equilibria====
 
<ref>[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice" Journal of Chemical Physics  '''125''' 034503 (2006)]</ref>
 
<ref>[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice" Journal of Chemical Physics  '''125''' 034503 (2006)]</ref>

Please note that all contributions to SklogWiki are considered to be released under the Creative Commons Attribution Non-Commercial Share Alike (see SklogWiki:Copyrights for details). If you do not want your writing to be edited mercilessly and redistributed at will, then do not submit it here.
You are also promising us that you wrote this yourself, or copied it from a public domain or similar free resource. Do not submit copyrighted work without permission!

To edit this page, please answer the question that appears below (more info):

Cancel | Editing help (opens in new window)

Template used on this page: