TIP4P/2005 model of water - Revision history

Carl McBride: /* References */ Added a recent publication

2018-04-17T12:13:42Z

References: Added a recent publication

← Older revision		Revision as of 14:13, 17 April 2018
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	*[http://dx.doi.org/10.1080/00268970902784926 Helena L. Pi, Juan L. Aragones, Carlos Vega, Eva G. Noya, Jose L. F. Abascal, Miguel A. Gonzalez and Carl McBride "Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima", Molecular Physics '''107''' pp. 365-374 (2009)]		*[http://dx.doi.org/10.1080/00268970902784926 Helena L. Pi, Juan L. Aragones, Carlos Vega, Eva G. Noya, Jose L. F. Abascal, Miguel A. Gonzalez and Carl McBride "Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima", Molecular Physics '''107''' pp. 365-374 (2009)]
	*[http://dx.doi.org/10.1063/1.4960185 Miguel A. González, Chantal Valeriani, Frédéric Caupin and José L. F. Abascal "A comprehensive scenario of the thermodynamic anomalies of water using the TIP4P/2005 model", Journal of Chemical Physics '''145''' 054505 (2016)]		*[http://dx.doi.org/10.1063/1.4960185 Miguel A. González, Chantal Valeriani, Frédéric Caupin and José L. F. Abascal "A comprehensive scenario of the thermodynamic anomalies of water using the TIP4P/2005 model", Journal of Chemical Physics '''145''' 054505 (2016)]
			*[https://doi.org/10.1063/1.5023894 Philip H. Handle and Francesco Sciortino "Potential energy landscape of TIP4P/2005 water", Journal of Chemical Physics '''148''' 134505 (2018)]

	==External links and resources==		==External links and resources==

Carl McBride: Added melting point data

2018-01-09T11:36:13Z

Added melting point data

← Older revision		Revision as of 13:36, 9 January 2018
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	<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>
	====Plastic crystal phases====		====Plastic crystal phases====
	Recent simulations have suggested the possibility of a [[Plastic crystals \| plastic crystal]] phase or phases for water <ref name="multiple2"> </ref><ref>[http://dx.doi.org/10.1039/b812834k J. L. Aragones, M. M. Conde, E. G. Noya and C. Vega "The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase", Physical Chemistry Chemical Physics '''11''' pp. 543- (2009)]</ref>		Recent simulations have suggested the possibility of a [[Plastic crystals \| plastic crystal]] phase or phases for water <ref name="multiple2"></ref><ref>[http://dx.doi.org/10.1039/b812834k J. L. Aragones, M. M. Conde, E. G. Noya and C. Vega "The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase", Physical Chemistry Chemical Physics '''11''' pp. 543- (2009)]</ref>
	====Supercooled region====		====Supercooled region====
	The [[Supercooling and nucleation \| supercooled]] region has been studied by Abascal and Vega <ref>[http://dx.doi.org/10.1063/1.3585676 J. L. F. Abascal and C. Vega "Note: Equation of state and compressibility of supercooled water: Simulations and experiment", Journal of Chemical Physics '''134''' 186101 (2011)]</ref>, locating a [[Widom line]] <ref>[http://dx.doi.org/10.1063/1.3594545 K. T. Wikfeldt, C. Huang, A. Nilsson, and L. G. M. Pettersson "Enhanced small-angle scattering connected to the Widom line in simulations of supercooled water", Journal of Chemical Physics '''134''' 214506 (2011)]</ref>, indicating a [[second critical point for water]] located at 1350 bar and 193 K.		The [[Supercooling and nucleation \| supercooled]] region has been studied by Abascal and Vega <ref>[http://dx.doi.org/10.1063/1.3585676 J. L. F. Abascal and C. Vega "Note: Equation of state and compressibility of supercooled water: Simulations and experiment", Journal of Chemical Physics '''134''' 186101 (2011)]</ref>, locating a [[Widom line]] <ref>[http://dx.doi.org/10.1063/1.3594545 K. T. Wikfeldt, C. Huang, A. Nilsson, and L. G. M. Pettersson "Enhanced small-angle scattering connected to the Widom line in simulations of supercooled water", Journal of Chemical Physics '''134''' 214506 (2011)]</ref>, indicating a [[second critical point for water]] located at 1350 bar and 193 K.
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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>.

	==Thermal conductivity==		==Thermal conductivity==
	[[Thermal conductivity]] <ref>[http://dx.doi.org/10.1063/1.4739855 Frank Römer, Anders Lervik, and Fernando Bresme "Nonequilibrium molecular dynamics simulations of the thermal conductivity of water: A systematic investigation of the SPC/E and TIP4P/2005 models", Journal of Chemical Physics '''137''' 074503 (2012)]</ref>.		[[Thermal conductivity]] <ref>[http://dx.doi.org/10.1063/1.4739855 Frank Römer, Anders Lervik, and Fernando Bresme "Nonequilibrium molecular dynamics simulations of the thermal conductivity of water: A systematic investigation of the SPC/E and TIP4P/2005 models", Journal of Chemical Physics '''137''' 074503 (2012)]</ref>.
			==Melting point==
			<math> T_m = 249.5 \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: /* References */ Added a recent publication

2016-09-02T10:10:41Z

References: Added a recent publication

← Older revision		Revision as of 12:10, 2 September 2016
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	'''Related reading'''		'''Related reading'''
	*[http://dx.doi.org/10.1080/00268970902784926 Helena L. Pi, Juan L. Aragones, Carlos Vega, Eva G. Noya, Jose L. F. Abascal, Miguel A. Gonzalez and Carl McBride "Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima", Molecular Physics '''107''' pp. 365-374 (2009)]		*[http://dx.doi.org/10.1080/00268970902784926 Helena L. Pi, Juan L. Aragones, Carlos Vega, Eva G. Noya, Jose L. F. Abascal, Miguel A. Gonzalez and Carl McBride "Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima", Molecular Physics '''107''' pp. 365-374 (2009)]
			*[http://dx.doi.org/10.1063/1.4960185 Miguel A. González, Chantal Valeriani, Frédéric Caupin and José L. F. Abascal "A comprehensive scenario of the thermodynamic anomalies of water using the TIP4P/2005 model", Journal of Chemical Physics '''145''' 054505 (2016)]

	==External links and resources==		==External links and resources==

Carl McBride: /* Liquid-liquid critical point */ Added new Liquid-liquid critical point data

2016-04-15T15:43:55Z

Liquid-liquid critical point: Added new Liquid-liquid critical point data

← Older revision		Revision as of 17:43, 15 April 2016
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	The [[shear viscosity]] for the TIP4P/2005 model is 0.855 mPa.s at 298 K and 1 bar <ref>[http://dx.doi.org/10.1063/1.3330544 Miguel Angel González and José L. F. Abascal "The shear viscosity of rigid water models", Journal of Chemical Physics '''132''' 096101 (2010)]</ref> (experimental value 0.896 mPa.s <ref>[http://dx.doi.org/10.1021/je049918m Kenneth R. Harris and Lawrence A. Woolf "Temperature and Volume Dependence of the Viscosity of Water and Heavy Water at Low Temperatures", Journal of Chemical & Engineering Data '''49''' pp. 1064-1069 (2004)]</ref>).		The [[shear viscosity]] for the TIP4P/2005 model is 0.855 mPa.s at 298 K and 1 bar <ref>[http://dx.doi.org/10.1063/1.3330544 Miguel Angel González and José L. F. Abascal "The shear viscosity of rigid water models", Journal of Chemical Physics '''132''' 096101 (2010)]</ref> (experimental value 0.896 mPa.s <ref>[http://dx.doi.org/10.1021/je049918m Kenneth R. Harris and Lawrence A. Woolf "Temperature and Volume Dependence of the Viscosity of Water and Heavy Water at Low Temperatures", Journal of Chemical & Engineering Data '''49''' pp. 1064-1069 (2004)]</ref>).
	==Liquid-liquid critical point==		==Liquid-liquid critical point==
	For the TIP4P/2005 model the [[Liquid-liquid phase transitions \| liquid-liquid]] [[critical points \| critical point]] is located at <math>T_c = 193</math>K, <math>p_c =~~1350~~</math> ~~bar~~ and having a density of <math>\rho_c =~~1.012~~</math> g/cm<sup>3</sup> <ref>[http://dx.doi.org/10.1063/1.3506860 José L. F. Abascal and Carlos Vega "Widom line and the liquid–liquid critical point for the TIP4P/2005 water model", Journal of Chemical Physics '''133''' 234502 (2010)]</ref>.		For the TIP4P/2005 model the [[Liquid-liquid phase transitions \| liquid-liquid]] [[critical points \| critical point]] is located at: <math>T_c = 193</math>K, <math>p_c =135</math> MPa and having a density of <math>\rho_c =1012</math> kg/m<sup>3</sup> <ref>[http://dx.doi.org/10.1063/1.3506860 José L. F. Abascal and Carlos Vega "Widom line and the liquid–liquid critical point for the TIP4P/2005 water model", Journal of Chemical Physics '''133''' 234502 (2010)]</ref>. <math>T_c = 182</math>K, <math>p_c =170</math> MPa and having a density of <math>\rho_c =1017</math> kg/m<sup>3</sup> <ref>[http://dx.doi.org/10.1063/1.4944986 Rakesh S. Singh, John W. Biddle, Pablo G. Debenedetti and Mikhail A. Anisimov "Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water", Journal of Chemical Physics '''144''' 144504 (2016)]</ref>.

	==Structure factor==		==Structure factor==
	The [[structure factor]], in particular for small wave vectors, has been calculated by Sedlmeier, Horinek and Netz <ref>[http://dx.doi.org/10.1021/ja1064137 Felix Sedlmeier, Dominik Horinek, and Roland R. Netz "Spatial Correlations of Density and Structural Fluctuations in Liquid Water: A Comparative Simulation Study", Journal of the American Chemical Society Article ASAP (2011)]</ref>, who observe that the TIP4P/2005 model yields an "almost quantitative agreement".		The [[structure factor]], in particular for small wave vectors, has been calculated by Sedlmeier, Horinek and Netz <ref>[http://dx.doi.org/10.1021/ja1064137 Felix Sedlmeier, Dominik Horinek, and Roland R. Netz "Spatial Correlations of Density and Structural Fluctuations in Liquid Water: A Comparative Simulation Study", Journal of the American Chemical Society Article ASAP (2011)]</ref>, who observe that the TIP4P/2005 model yields an "almost quantitative agreement".

Carl McBride: /* Phase diagram */ Added a recent publication

2013-11-06T16:53:33Z

Phase diagram: Added a recent publication

← Older revision		Revision as of 18:53, 6 November 2013
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	==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>		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>)
			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>.
	:[[Image:TIP4P_2005_phase_diagram.png\|400px]]		:[[Image:TIP4P_2005_phase_diagram.png\|400px]]
	~~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>
	====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>

Carl McBride: /* Parameters */ Added link for NAMD files for the TIP4P/2005 model

2013-03-19T15:30:26Z

Parameters: Added link for NAMD files for the TIP4P/2005 model

← Older revision		Revision as of 17:30, 19 March 2013
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	*[[DL_POLY FIELD file for the TIP4P/2005 model]]		*[[DL_POLY FIELD file for the TIP4P/2005 model]]
	*[[GROMACS files for the TIP4P/2005 model]]		*[[GROMACS files for the TIP4P/2005 model]]
			*[[NAMD]] [http://catalan.quim.ucm.es/namd/tip4p_2005_namd.tar.gz files for the TIP4P/2005 model]

	==Phase diagram==		==Phase diagram==

Carl McBride: Started a Thermal conductivity section

2012-09-19T13:55:56Z

Started a Thermal conductivity section

← Older revision		Revision as of 15:55, 19 September 2012
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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>.

			==Thermal conductivity==
			[[Thermal conductivity]] <ref>[http://dx.doi.org/10.1063/1.4739855 Frank Römer, Anders Lervik, and Fernando Bresme "Nonequilibrium molecular dynamics simulations of the thermal conductivity of water: A systematic investigation of the SPC/E and TIP4P/2005 models", Journal of Chemical Physics '''137''' 074503 (2012)]</ref>.
	==References==		==References==
	<references/>		<references/>

Carl McBride: /* Self-diffusion coefficient */ Added a recent publication

2012-01-26T14:56:15Z

Self-diffusion coefficient: Added a recent publication

← Older revision		Revision as of 16:56, 26 January 2012
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	==Self-diffusion coefficient==		==Self-diffusion coefficient==
	The TIP4P/2005 potential has a [[Diffusion \|self-diffusion]] coefficient, in bulk water at 298 K, of 0.21 Å<sup>2</sup> ps<sup>−1</sup> in a classical simulation of 216 water molecules (experimental value: 0.23 Å<sup>2</sup> ps<sup>−1</sup>)		The TIP4P/2005 potential has a [[Diffusion \|self-diffusion]] coefficient, in bulk water at 298 K, of 0.21 Å<sup>2</sup> ps<sup>−1</sup> in a classical simulation of 216 water molecules (experimental value: 0.23 Å<sup>2</sup> ps<sup>−1</sup>)
	<ref>[http://dx.doi.org/10.1063/1.2925792 Thomas E. Markland, Scott Habershon, and David E. Manolopoulos "Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice", Journal of Chemical Physics '''128''' 194506 (2008)]</ref>.		<ref>[http://dx.doi.org/10.1063/1.2925792 Thomas E. Markland, Scott Habershon, and David E. Manolopoulos "Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice", Journal of Chemical Physics '''128''' 194506 (2008)]</ref>. See also <ref>[http://dx.doi.org/10.1063/1.3677196 Dmitri Rozmanov and Peter G. Kusalik "Transport coefficients of the TIP4P-2005 water model", Journal of Chemical Physics '''136''' 044507 (2012)]</ref>.

	==Shear viscosity==		==Shear viscosity==
	The [[shear viscosity]] for the TIP4P/2005 model is 0.855 mPa.s at 298 K and 1 bar <ref>[http://dx.doi.org/10.1063/1.3330544 Miguel Angel González and José L. F. Abascal "The shear viscosity of rigid water models", Journal of Chemical Physics '''132''' 096101 (2010)]</ref> (experimental value 0.896 mPa.s <ref>[http://dx.doi.org/10.1021/je049918m Kenneth R. Harris and Lawrence A. Woolf "Temperature and Volume Dependence of the Viscosity of Water and Heavy Water at Low Temperatures", Journal of Chemical & Engineering Data '''49''' pp. 1064-1069 (2004)]</ref>).		The [[shear viscosity]] for the TIP4P/2005 model is 0.855 mPa.s at 298 K and 1 bar <ref>[http://dx.doi.org/10.1063/1.3330544 Miguel Angel González and José L. F. Abascal "The shear viscosity of rigid water models", Journal of Chemical Physics '''132''' 096101 (2010)]</ref> (experimental value 0.896 mPa.s <ref>[http://dx.doi.org/10.1021/je049918m Kenneth R. Harris and Lawrence A. Woolf "Temperature and Volume Dependence of the Viscosity of Water and Heavy Water at Low Temperatures", Journal of Chemical & Engineering Data '''49''' pp. 1064-1069 (2004)]</ref>).

Carl McBride: /* Supercooled region */ Added a recent publication

2011-06-07T10:10:52Z

Supercooled region: Added a recent publication

← Older revision		Revision as of 12:10, 7 June 2011
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	Recent simulations have suggested the possibility of a [[Plastic crystals \| plastic crystal]] phase or phases for water <ref name="multiple2"> </ref><ref>[http://dx.doi.org/10.1039/b812834k J. L. Aragones, M. M. Conde, E. G. Noya and C. Vega "The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase", Physical Chemistry Chemical Physics '''11''' pp. 543- (2009)]</ref>		Recent simulations have suggested the possibility of a [[Plastic crystals \| plastic crystal]] phase or phases for water <ref name="multiple2"> </ref><ref>[http://dx.doi.org/10.1039/b812834k J. L. Aragones, M. M. Conde, E. G. Noya and C. Vega "The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase", Physical Chemistry Chemical Physics '''11''' pp. 543- (2009)]</ref>
	====Supercooled region====		====Supercooled region====
	The [[Supercooling and nucleation \| supercooled]] region has been studied by Abascal and Vega <ref>[http://dx.doi.org/10.1063/1.3585676 J. L. F. Abascal and C. Vega "Note: Equation of state and compressibility of supercooled water: Simulations and experiment", Journal of Chemical Physics '''134''' 186101 (2011)]</ref>, locating a [[Widom line]], indicating a [[second critical point for water]] located at 1350 bar and 193 K.		The [[Supercooling and nucleation \| supercooled]] region has been studied by Abascal and Vega <ref>[http://dx.doi.org/10.1063/1.3585676 J. L. F. Abascal and C. Vega "Note: Equation of state and compressibility of supercooled water: Simulations and experiment", Journal of Chemical Physics '''134''' 186101 (2011)]</ref>, locating a [[Widom line]] <ref>[http://dx.doi.org/10.1063/1.3594545 K. T. Wikfeldt, C. Huang, A. Nilsson, and L. G. M. Pettersson "Enhanced small-angle scattering connected to the Widom line in simulations of supercooled water", Journal of Chemical Physics '''134''' 214506 (2011)]</ref>, indicating a [[second critical point for water]] located at 1350 bar and 193 K.

	==Surface tension==		==Surface tension==

Carl McBride: /* Phase diagram */

2011-05-11T09:37:47Z

Phase diagram

← Older revision		Revision as of 11:37, 11 May 2011
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	====Plastic crystal phases====		====Plastic crystal phases====
	Recent simulations have suggested the possibility of a [[Plastic crystals \| plastic crystal]] phase or phases for water <ref name="multiple2"> </ref><ref>[http://dx.doi.org/10.1039/b812834k J. L. Aragones, M. M. Conde, E. G. Noya and C. Vega "The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase", Physical Chemistry Chemical Physics '''11''' pp. 543- (2009)]</ref>		Recent simulations have suggested the possibility of a [[Plastic crystals \| plastic crystal]] phase or phases for water <ref name="multiple2"> </ref><ref>[http://dx.doi.org/10.1039/b812834k J. L. Aragones, M. M. Conde, E. G. Noya and C. Vega "The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase", Physical Chemistry Chemical Physics '''11''' pp. 543- (2009)]</ref>
			====Supercooled region====
			The [[Supercooling and nucleation \| supercooled]] region has been studied by Abascal and Vega <ref>[http://dx.doi.org/10.1063/1.3585676 J. L. F. Abascal and C. Vega "Note: Equation of state and compressibility of supercooled water: Simulations and experiment", Journal of Chemical Physics '''134''' 186101 (2011)]</ref>, locating a [[Widom line]], indicating a [[second critical point for water]] located at 1350 bar and 193 K.

	==Surface tension==		==Surface tension==
	The [[surface tension]] has been studied for the TIP4P/2005 model, giving <math>\gamma = 69.1</math> mJ/m<sup>2</sup> at 300 K using the [[test area method]]		The [[surface tension]] has been studied for the TIP4P/2005 model, giving <math>\gamma = 69.1</math> mJ/m<sup>2</sup> at 300 K using the [[test area method]]