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{{Jmol_general|Ethane.pdb|Ethane}}
{{Stub-general}}
'''Ethane'''.
'''Ethane'''
==Models==
{|name="userboxes" id="userboxes" style="margin-left: 1em; margin-bottom: 0.5em; width: 170px; border: {{{bordercolor|#99B3FF}}} solid 1px; background-color: {{{backgroundcolor|#FFFFFF}}}; {{{extra-css|}}}" align="right"
The [[NERD]] parameters are:
|-
:{| border="1"
|<center>
|-  
<jmol>
| Molecule  || <math>\sigma_{\mathrm {CH}_3}</math> ||  <math>\sigma_{\mathrm {CH}_2}</math> ||  <math>\epsilon_{\mathrm {CH}_3}</math> ||  <math>\epsilon_{\mathrm {CH}_2}</math>  
  <jmolApplet>
|-
  <script>set spin X 10; spin on</script>
| [[ethane]] || 3.825 <math>\mathrm{\AA}</math> || 3.93 <math>\mathrm{\AA}</math> || 100.6 K
  <size>200</size>
  <color>lightgrey</color>
    <wikiPageContents>Ethane.pdb</wikiPageContents>
</jmolApplet>
</jmol></center>  
|-
| <center>Ethane</center>
|-
|}
|}
==Critical properties==
[[category: Contains Jmol]]
The [[pressure]], [[temperature]] and density at the [[Critical points |critical point]] have been calculated for a [[virial equation of state]] using the [[TraPPE force field |TraPPE-UA]] [[Force fields | force field]], and are given in Table I of <ref>[http://dx.doi.org/10.1063/1.3486085  Andrew J. Schultz  and David A. Kofke "Virial coefficients of model alkanes", Journal of Chemical Physics '''133''' 104101 (2010)]</ref>.
==Virial coefficients==
The virial coefficients [[Second virial coefficient | <math>B_2</math>]]-<math>B_6</math> as a function of temperature for the TraPPE-UA force field have been tabulated by Schultz and Kofke <ref>[ftp://ftp.aip.org/epaps/journ_chem_phys/E-JCPSA6-133-004034/c2.txt Schultz and Kofke EPAPS data]</ref>.
==Surface tension==
The [[surface tension]] has been calculated for the [[TraPPE force field | TraPPE]] and [[OPLS force field |OPLS]]  [[force fields]] <ref name="Benet">[http://dx.doi.org/10.1021/je100578z Jorge Benet, Luis G. MacDowell, and Carlos Menduiña "Liquid−Vapor Phase Equilibria and Surface Tension of Ethane As Predicted by the TraPPE and OPLS Models", Journal of Chemical & Engineering Data '''55''' pp. 5465-5470 (2010)]</ref> using the [[wandering interface method]].
 
==Liquid-vapour equilibria==
The [[Gas-liquid phase transitions | Liquid-vapour equilibria]] has been calculated for the [[TraPPE force field | TraPPE]] and [[OPLS force field |OPLS]]  [[force fields]] <ref name="Benet"> </ref>.
==References==
==References==
<references/>
[[category: models]]
[[category: models]]
[[category: Contains Jmol]]
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