Difference between revisions of "Butane"

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{{Jmol_general|isobutane.pdb|Isobutane}}
 
==References==
 
==References==
#[http://dx.doi.org/10.1016/0009-2614(75)85513-8  J. -P. Ryckaert and A. Bellemans "Molecular dynamics of liquid n-butane near its boiling point", Chemical Physics Letters  '''30''' pp. 123-125 (1975)]
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<references/>
#[http://dx.doi.org/10.1016/0009-2614(83)87031-6  Gisèle Marechal and Jean-Paul Ryckaert "Atomic versus molecular description of transport properties in polyatomic fluids: n-butane as an illustration", Chemical Physics Letters  '''101''' pp. 548-554 (1983)]
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'''Related reading'''
#[http://dx.doi.org/10.1063/1.456490 E. Enciso, J. Alonso,  N. G. Almarza, and F. J. Bermejo "Statistical mechanics of small chain molecular liquids. I. Conformational properties of modeled n-butane", Journal of Chemical Physics '''90''' pp. 413-421 (1989)]
+
*[http://dx.doi.org/10.1016/0009-2614(75)85513-8  J. -P. Ryckaert and A. Bellemans "Molecular dynamics of liquid n-butane near its boiling point", Chemical Physics Letters  '''30''' pp. 123-125 (1975)]
#[http://dx.doi.org/10.1063/1.456491 E. Enciso, J. Alonso,  N. G. Almarza, and F. J. Bermejo "Statistical mechanics of small chain molecular liquids. II. Structure and thermodynamic properties of modeled n-butane liquid",  Journal of Chemical Physics '''90''' pp. 422-430 (1989)]
+
*[http://dx.doi.org/10.1016/0009-2614(83)87031-6  Gisèle Marechal and Jean-Paul Ryckaert "Atomic versus molecular description of transport properties in polyatomic fluids: n-butane as an illustration", Chemical Physics Letters  '''101''' pp. 548-554 (1983)]
#[http://dx.doi.org/10.1080/00268979000101141 N. G. Almarza, E. Enciso, J. Alonso, F. J. Bermejo and M. Alvarez "Monte Carlo simulations of liquid n-butane", Molecular Physics '''70''' pp. 485-504 (1990)]
+
*[http://dx.doi.org/10.1063/1.456490 E. Enciso, J. Alonso,  N. G. Almarza, and F. J. Bermejo "Statistical mechanics of small chain molecular liquids. I. Conformational properties of modeled n-butane", Journal of Chemical Physics '''90''' pp. 413-421 (1989)]
#[http://dx.doi.org/10.1063/1.473993  Norman L. Allinger, Justin T. Fermann, Wesley D. Allen, and Henry F. Schaefer III "The torsional conformations of butane: Definitive energetics from ab initio methods", Journal of Chemical Physics '''106''' pp. 5143-5150 (1997)]
+
*[http://dx.doi.org/10.1063/1.456491 E. Enciso, J. Alonso,  N. G. Almarza, and F. J. Bermejo "Statistical mechanics of small chain molecular liquids. II. Structure and thermodynamic properties of modeled n-butane liquid",  Journal of Chemical Physics '''90''' pp. 422-430 (1989)]
 +
*[http://dx.doi.org/10.1080/00268979000101141 N. G. Almarza, E. Enciso, J. Alonso, F. J. Bermejo and M. Alvarez "Monte Carlo simulations of liquid n-butane", Molecular Physics '''70''' pp. 485-504 (1990)]
 +
*[http://dx.doi.org/10.1063/1.473993  Norman L. Allinger, Justin T. Fermann, Wesley D. Allen, and Henry F. Schaefer III "The torsional conformations of butane: Definitive energetics from ab initio methods", Journal of Chemical Physics '''106''' pp. 5143-5150 (1997)]
 
[[category: models]]
 
[[category: models]]
 
[[category: Contains Jmol]]
 
[[category: Contains Jmol]]

Revision as of 17:25, 10 February 2010

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n-butane

Butane (C4H10) (n-butane). The NERD parameters are:

Molecule \sigma_{\mathrm {CH}_3} \sigma_{\mathrm {CH}_2} \epsilon_{\mathrm {CH}_3} \epsilon_{\mathrm {CH}_2}
butane 3.91 \mathrm{\AA} 3.93 \mathrm{\AA} 104.0 K 45.8 K

Isobutane

Isobutane is the branched isomer of butane.


<jmol>

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Isobutane

References

Related reading