Propane: Difference between revisions
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'''Propane''' (C<sub>3</sub>H<sub>8</sub>) | '''Propane''' (C<sub>3</sub>H<sub>8</sub>). The [[NERD]] parameters are: | ||
:{| border="1" | |||
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| 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> | |||
|- | |||
| [[propane]] || 3.857 <math>\mathrm{\AA}</math> || 3.93 <math>\mathrm{\AA}</math> || 102.6 K || 45.8 K | |||
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Revision as of 11:57, 28 July 2008
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Propane (C3H8). The NERD parameters are:
Molecule propane 3.857 3.93 102.6 K 45.8 K
<jmol> <jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>propane.pdb</wikiPageContents> </jmolApplet></jmol> |
References
- Rolf Lustig and William A. Steele "On the thermodynamics of liquid propane", Molecular Physics 65 pp. 475-486 (1988)
- Sumnesh Gupta, Jia-an Yang and Neil R. Kestner "Computer modeling of liquid propane using three-site potential models", Journal of Chemical Physics 89 pp. 3733-3741 (1988)
- Søren Toxvaerd "Molecular dynamics calculation of the equation of state of liquid propane", Journal of Chemical Physics 91 pp. 3716-3720 (1989)
- Carlos Vega and Santiago Lago "Molecular dynamics study of propane using two simple potential models", Journal of Chemical Physics 93 pp. 8171-8179 (1990)
- W.-N. Shen and P. A. Monson "Solid-fluid equilibrium in a nonlinear hard sphere triatomic model of propane", Journal of Chemical Physics 103 pp. 9756-9762 (1995)