Editing TIP4P model of water
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The '''TIP4P''' model | The '''TIP4P''' model | ||
<ref>[http://dx.doi.org/10.1063/1.445869 William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura, Roger W. Impey and Michael L. Klein "Comparison of simple potential functions for simulating liquid water", Journal of Chemical Physics '''79''' pp. 926-935 (1983)]</ref> | <ref>[http://dx.doi.org/10.1063/1.445869 William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura, Roger W. Impey and Michael L. Klein "Comparison of simple potential functions for simulating liquid water", Journal of Chemical Physics '''79''' pp. 926-935 (1983)]</ref> | ||
is a rigid planar four-site interaction potential for [[water]], having a similar geometry to the | is a rigid planar four-site interaction potential for [[water]], having a similar geometry to the original [[BF |Bernal and Fowler model]]. | ||
==Parameters== | ==Parameters== | ||
[[Image:Four_site_water_model.png|center|400px]] | |||
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| 0.9572 || 104.52 || 3.154 || 78.0 || 0 || 0.52 || -2q(H) || 0.15 | | 0.9572 || 104.52 || 3.154 || 78.0 || 0 || 0.52 || -2q(H) || 0.15 | ||
|} | |} | ||
==Phase diagram== | ==Phase diagram== | ||
[[Image:TIP4P_phase_diagram.png|right|400px]] | |||
===Plastic crystal phases=== | ===Plastic crystal phases=== | ||
Recent simulations have demonstrated the existence of [[Plastic crystals | plastic crystal]] phases for the TIP4P model | Recent simulations have demonstrated the existence of [[Plastic crystals | plastic crystal]] phases for the TIP4P model | ||
< | <ref>[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>. | ||
==Shear viscosity== | ==Shear viscosity== | ||
The [[shear viscosity]] for the TIP4P model is 0.494 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 model is 0.494 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>). | ||
==See also== | ==See also== | ||
The following is a list of [[water models | empirical models]] that build upon this TIP4P model: | The following is a list of [[water models | empirical models]] that build upon this TIP4P model: |