TIP4P/Ice model of water - Revision history

Carl McBride: Added melting point data

2018-01-09T11:36:24Z

Added melting point data

← Older revision		Revision as of 13:36, 9 January 2018
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	==Virial coefficients==		==Virial coefficients==
	The [[second virial coefficient]] has been calculated by Chialvo et al <ref>[http://dx.doi.org/10.1016/j.molliq.2006.08.018 Ariel A. Chialvo, Albert Bartók and András Baranyai "On the re-engineered TIP4P water models for the prediction of vapor–liquid equilibrium", Journal of Molecular Liquids '''129''' pp. 120-124 (2006)]</ref>.		The [[second virial coefficient]] has been calculated by Chialvo et al <ref>[http://dx.doi.org/10.1016/j.molliq.2006.08.018 Ariel A. Chialvo, Albert Bartók and András Baranyai "On the re-engineered TIP4P water models for the prediction of vapor–liquid equilibrium", Journal of Molecular Liquids '''129''' pp. 120-124 (2006)]</ref>.
			==Melting point==
			<math> T_m = 269.8 \pm 0.1</math> K <ref>[https://doi.org/10.1063/1.5008478 M. M. Conde, M. Rovere, and P. Gallo "High precision determination of the melting points of water TIP4P/2005 and water TIP4P/Ice models by the direct coexistence technique", Journal of Chemical Physics '''147''' 244506 (2017)]</ref>.
	==References==		==References==
	<references/>		<references/>

Carl McBride: Added mention of second virial coefficient

2011-01-20T12:14:00Z

Added mention of second virial coefficient

← Older revision		Revision as of 14:14, 20 January 2011
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	==Liquid-vapour equilibria==		==Liquid-vapour equilibria==
	*[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>[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>
			==Virial coefficients==
			The [[second virial coefficient]] has been calculated by Chialvo et al <ref>[http://dx.doi.org/10.1016/j.molliq.2006.08.018 Ariel A. Chialvo, Albert Bartók and András Baranyai "On the re-engineered TIP4P water models for the prediction of vapor–liquid equilibrium", Journal of Molecular Liquids '''129''' pp. 120-124 (2006)]</ref>.
	==References==		==References==
	<references/>		<references/>

Nice and Tidy: TIP4P/Ice moved to TIP4P/Ice model of water

2010-02-23T14:49:49Z

TIP4P/Ice moved to TIP4P/Ice model of water

← Older revision	Revision as of 16:49, 23 February 2010
(No difference)

Nice and Tidy: Corrected name of model

2009-06-10T16:28:46Z

Corrected name of model

← Older revision		Revision as of 18:28, 10 June 2009
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	\|}		\|}

	*[[DL_POLY FIELD file for the TIP4P/~~ice~~ model]]		*[[DL_POLY FIELD file for the TIP4P/Ice model]]
	*[[GROMACS topology file for the TIP4P/~~ice~~ model]]		*[[GROMACS topology file for the TIP4P/Ice model]]

	==Liquid-vapour equilibria==		==Liquid-vapour equilibria==

Nice and Tidy: Corrected name of model

2009-06-10T16:28:31Z

Corrected name of model

← Older revision		Revision as of 18:28, 10 June 2009
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	<ref>[http://dx.doi.org/10.1063/1.1931662 L. F. Abascal, E. Sanz, R. García Fernández, and C. Vega "A potential model for the study of ices and amorphous water: TIP4P/Ice", Journal of Chemical Physics, '''122''' 234511 (2005)]</ref>		<ref>[http://dx.doi.org/10.1063/1.1931662 L. F. Abascal, E. Sanz, R. García Fernández, and C. Vega "A potential model for the study of ices and amorphous water: TIP4P/Ice", Journal of Chemical Physics, '''122''' 234511 (2005)]</ref>
	is a re-parameterisation of the [[TIP4P]] potential for simulations of [[ice phases]].		is a re-parameterisation of the [[TIP4P]] potential for simulations of [[ice phases]].
	TIP4P/~~ice~~ is a rigid planar model, having a similar geometry to the original [[BF \|Bernal and Fowler model]].		TIP4P/Ice is a rigid planar model, having a similar geometry to the original [[BF \|Bernal and Fowler model]].
	==Parameters==		==Parameters==
	[[Image:Four_site_water_model.png‎\|center\|400px]]		[[Image:Four_site_water_model.png‎\|center\|400px]]

Nice and Tidy: Slight tidy.

2009-06-10T14:59:44Z

Slight tidy.

← Older revision		Revision as of 16:59, 10 June 2009
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	The '''TIP4P/Ice''' model ~~is a re-parameterisation of the original [[TIP4P]] potential for simulations of [[ice phases]]~~		The '''TIP4P/Ice''' model
	<ref>[http://dx.doi.org/10.1063/1.1931662 L. F. Abascal, E. Sanz, R. García Fernández, and C. Vega "A potential model for the study of ices and amorphous water: TIP4P/Ice", Journal of Chemical Physics, '''122''' 234511 (2005)]</ref>.		<ref>[http://dx.doi.org/10.1063/1.1931662 L. F. Abascal, E. Sanz, R. García Fernández, and C. Vega "A potential model for the study of ices and amorphous water: TIP4P/Ice", Journal of Chemical Physics, '''122''' 234511 (2005)]</ref>
	TIP4P/ice is a rigid planar model, having a similar geometry to the Bernal and Fowler ~~([[BF~~]]~~) model~~.		is a re-parameterisation of the [[TIP4P]] potential for simulations of [[ice phases]].
			TIP4P/ice is a rigid planar model, having a similar geometry to the original [[BF \|Bernal and Fowler model]].
	==Parameters==		==Parameters==
	[[Image:Four_site_water_model.png‎\|center\|400px]]		[[Image:Four_site_water_model.png‎\|center\|400px]]

Nice and Tidy: Corrected name.

2009-06-10T14:55:45Z

Corrected name.

← Older revision		Revision as of 16:55, 10 June 2009
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	The '''TIP4P/~~ice~~''' model is a re-parameterisation of the original [[TIP4P]] potential for simulations of [[ice phases]]		The '''TIP4P/Ice''' model is a re-parameterisation of the original [[TIP4P]] potential for simulations of [[ice phases]]
	<ref>[http://dx.doi.org/10.1063/1.1931662 L. F. Abascal, E. Sanz, R. García Fernández, and C. Vega "A potential model for the study of ices and amorphous water: TIP4P/Ice", Journal of Chemical Physics, '''122''' 234511 (2005)]</ref>.		<ref>[http://dx.doi.org/10.1063/1.1931662 L. F. Abascal, E. Sanz, R. García Fernández, and C. Vega "A potential model for the study of ices and amorphous water: TIP4P/Ice", Journal of Chemical Physics, '''122''' 234511 (2005)]</ref>.
	TIP4P/ice is a rigid planar model, having a similar geometry to the Bernal and Fowler ([[BF]]) model.		TIP4P/ice is a rigid planar model, having a similar geometry to the Bernal and Fowler ([[BF]]) model.

Nice and Tidy: TIP4P/ice moved to TIP4P/Ice: Corrected the name as per the publication.

2009-06-10T14:55:23Z

TIP4P/ice moved to TIP4P/Ice: Corrected the name as per the publication.

← Older revision	Revision as of 16:55, 10 June 2009
(No difference)

Nice and Tidy: /* Parameters */ Updated image

2009-06-08T16:17:03Z

Parameters: Updated image

← Older revision		Revision as of 18:17, 8 June 2009
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	TIP4P/ice is a rigid planar model, having a similar geometry to the Bernal and Fowler ([[BF]]) model.		TIP4P/ice is a rigid planar model, having a similar geometry to the Bernal and Fowler ([[BF]]) model.
	==Parameters==		==Parameters==
	[[Image:~~Water_empirical1~~.~~png~~\|center\|~~300px~~]]		[[Image:Four_site_water_model.png‎\|center\|400px]]


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	*[[DL_POLY FIELD file for the TIP4P/ice model]]		*[[DL_POLY FIELD file for the TIP4P/ice model]]
	*[[GROMACS topology file for the TIP4P/ice model]]		*[[GROMACS topology file for the TIP4P/ice model]]

	==Liquid-vapour equilibria==		==Liquid-vapour equilibria==
	*[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)]		*[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)]

Carl McBride: Started a section on the Liquid-vapour equilibria

2009-05-12T15:30:00Z

Started a section on the Liquid-vapour equilibria

← Older revision		Revision as of 17:30, 12 May 2009
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	~~{{Stub-water}}~~		The '''TIP4P/ice''' model is a re-parameterisation of the original [[TIP4P]] potential for simulations of [[ice phases]]
	~~{{Numeric}}~~		<ref>[http://dx.doi.org/10.1063/1.1931662 L. F. Abascal, E. Sanz, R. García Fernández, and C. Vega "A potential model for the study of ices and amorphous water: TIP4P/Ice", Journal of Chemical Physics, '''122''' 234511 (2005)]</ref>.
	The '''TIP4P/ice''' model is a re-parameterisation of the original [[TIP4P]] potential for simulations of [[ice phases]].
	TIP4P/ice is a rigid planar model, having a similar geometry to the Bernal and Fowler ([[BF]]) model.		TIP4P/ice is a rigid planar model, having a similar geometry to the Bernal and Fowler ([[BF]]) model.
	==Parameters==		==Parameters==
Line 16:		Line 15:
	*[[DL_POLY FIELD file for the TIP4P/ice model]]		*[[DL_POLY FIELD file for the TIP4P/ice model]]
	*[[GROMACS topology file for the TIP4P/ice model]]		*[[GROMACS topology file for the TIP4P/ice model]]
			==Liquid-vapour equilibria==
			*[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)]
	==References==		==References==
	*[http://dx.doi.org/10.1063/1.1931662 L. F. Abascal, E. Sanz, R. García Fernández, and C. Vega "A potential model for the study of ices and amorphous water: TIP4P/Ice", Journal of Chemical Physics, '''122''' 234511 (2005)]		<references/>
	*[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)]		{{Numeric}}

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