Carl McBride: Created page with "{{Stub-water}} The '''SPC/ε''' model [http://dx.doi.org/10.1016/j.physa.2014.10.072 Raúl Fuentes-Azcatla, Noé Mendoza, AND José Alejandre "Improved SPC force..."

2015-02-09T15:29:12Z

Created page with "{{Stub-water}} The '''SPC/ε''' model <ref>[http://dx.doi.org/10.1016/j.physa.2014.10.072 Raúl Fuentes-Azcatla, Noé Mendoza, AND José Alejandre "Improved SPC force..."

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{{Stub-water}}
The '''SPC/ε''' model
<ref>[http://dx.doi.org/10.1016/j.physa.2014.10.072 Raúl Fuentes-Azcatla, Noé Mendoza, AND José Alejandre "Improved SPC force field of water based on the dielectric constant: SPC/ε", Physica A: Statistical Mechanics and its Applications '''420''' PP. 116-123 (2015)]</ref>
is a modified version of the simple point-charge model [[SPC]] for [[water]].
==Parameters==
[[Image:Thee_site_water_model.png‎|center|400px]]
{| border="1"
|-
| parameter || value
|-
| <math>\sigma</math> || <math> 3.1785 {\mathrm {\AA}}</math>
|-
| <math>\epsilon</math> || <math>84.9 </math> k<sub>B</sub>
|-
| <math>r_\mathrm{OH}</math> || <math> 1 \mathrm{\AA}</math>
|-
| <math>\angle_\mathrm{HOH}</math> || <math> 109.45^{\circ}</math>
|-
| <math>q_{\mathrm{O}}</math> || <math>-0.99 e</math>
|-
| <math>q_{\mathrm{H}}</math> || <math>|q_{\mathrm{O}}|/2</math> (charge neutrality)
|}
==References==
<references/>
[[category: water]]
[[category: models]]

SPC/ε water model - Revision history

Carl McBride: Created page with "{{Stub-water}} The '''SPC/ε''' model [http://dx.doi.org/10.1016/j.physa.2014.10.072 Raúl Fuentes-Azcatla, Noé Mendoza, AND José Alejandre "Improved SPC force..."