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| The '''TIP3P''' model of [[water]] <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>. | | {{Stub-water}} |
| | The '''TIP3P''' model of [[water]]. |
| ==Parameters== | | ==Parameters== |
| The TIP3P model consists of a [[Lennard-Jones model | Lennard-Jones site]] for the [[oxygen]] atom, and two charge sites.
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| ::[[Image:Four_site_water_model.png|400px]]
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| {| style="width:60%; height:100px" border="1"
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| | <math>r_{\mathrm {OH}}</math> (Å)|| <math>\angle</math>HOH , deg|| <math>\sigma</math> (Å)|| <math>\epsilon</math> (kJ/mol)|| q(O) (e) || q(H) (e) || q(M) (e) || <math>r_{\mathrm {OM}}</math> (Å)
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| | 0.9572 || 104.52 || 3.15066 || 0.63627 || -0.834 || 0.417 || 0 || 0
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| |}
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| ==Surface tension== | | ==Surface tension== |
| The [[surface tension]] has been studied for the TIP3P model by Vega and Miguel <ref>[http://dx.doi.org/10.1063/1.2715577 C. Vega and E. de Miguel "Surface tension of the most popular models of water by using the test-area simulation method", Journal of Chemical Physics '''126''' 154707 (2007)]</ref> | | The [[surface tension]] has been studied for the TIP3P model by Vega and Miguel. |
| ==Shear viscosity==
| | *[http://dx.doi.org/10.1063/1.2715577 C. Vega and E. de Miguel "Surface tension of the most popular models of water by using the test-area simulation method", Journal of Chemical Physics '''126''' 154707 (2007)] |
| The [[shear viscosity]] for the TIP3P model is 0.321 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>).
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| ==References== | | ==References== |
| <references/>
| | #[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)] |
| ;Related reading
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| *[http://dx.doi.org/10.1063/1.3548869 Péter T. Kiss and András Baranyai "Sources of the deficiencies in the popular SPC/E and TIP3P models of water", Journal of Chemical Physics '''134''' 054106 (2011)]
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| [[category:models]] | | [[category:models]] |
| [[category:water]] | | [[category:water]] |