Carbon dioxide: Difference between revisions

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==References==
==References==
#[http://dx.doi.org/10.1080/00268978100102331  C. S. Murthy, K. Singer and I. R. McDonald "Interaction site models for carbon dioxide", Molecular Physics '''44''' pp. 135-143 (1981)]
#'''Structure and pair correlations of a simple coarse grained model for supercritical carbon dioxide'''. B. M. Mognetti,  M. Oettel, P. Virnau,  L. Yelash, and K. Binder, [http://dx.doi.org/10.1080/00268970902755025 Molecular Physics '''107''': 331-341 (2009)]
#[http://dx.doi.org/10.1080/00268979100100341 Rolf Eggenberger, Stefan Gerber and Hanspeter Huber  "The carbon dioxide dimer", Molecular Physics '''72''' pp. 433 - 439 (1991)]
#'''Interactive 3D Phase Diagrams Using Jmol'''. A. Herráez, R. M. Hanson, and L. Glasser, [http://jchemed.chem.wisc.edu/journal/issues/2009/May/abs566.html Journal of Chemical Education '''86''': 566 (2009)] and [http://biomodel.uah.es/Jmol/plots/phase-diagrams/ website]
#[http://dx.doi.org/10.1063/1.1924700 Zhigang Zhang and Zhenhao Duan "An optimized molecular potential for carbon dioxide", Journal of Chemical Physics '''122''' 214507 (2005)]
#'''Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: The case of carbon dioxide'''. B. M. Mognetti, L. Yelash, P. Virnau, W. Paul, K. Binder, M. Müller, and L. G. MacDowell, [http://dx.doi.org/10.1063/1.2837291 Journal of Chemical Physics '''128''': 104501 (2008)]
#[http://dx.doi.org/10.1063/1.2837291 B. M. Mognetti, L. Yelash, P. Virnau, W. Paul, K. Binder, M. Müller, and L. G. MacDowell "Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: The case of carbon dioxide", Journal of Chemical Physics '''128''' 104501 (2008)]
#'''An optimized molecular potential for carbon dioxide'''. Z. Zhang and Z. Duan, [http://dx.doi.org/10.1063/1.1924700 Journal of Chemical Physics '''122''': 214507 (2005)]
#'''Equations of State and Phase Diagrams'''. L. Glasser, [http://www.jce.divched.org/Journal/Issues/2002/Jul/abs874.html Journal of Chemical Education '''79''': 874 (2002)]
#'''The carbon dioxide dimer'''. R. Eggenberger, S. Gerber, and H. Huber, [http://dx.doi.org/10.1080/00268979100100341 Molecular Physics '''72''': 433-439 (1991)]
#'''Interaction site models for carbon dioxide'''. C. S. Murthy, K. Singer, and I. R. McDonald, [http://dx.doi.org/10.1080/00268978100102331  Molecular Physics '''44''': 135-143 (1981)]
[[category: models]]
[[category: models]]
#[http://dx.doi.org/10.1080/00268970902755025 B. M. Mognetti,  M. Oettel, P. Virnau,  L. Yelash, and K. Binder "Structure and pair correlations of a simple coarse grained model for supercritical carbon dioxide", Molecular Physics '''107''' pp. 331-341 (2009)]

Revision as of 11:22, 1 June 2009

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<jmol>

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 <script>set spin X 10; spin on</script>
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   <wikiPageContents>carbon_dioxide.pdb</wikiPageContents>
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</jmol>
Carbon dioxide


References

  1. Structure and pair correlations of a simple coarse grained model for supercritical carbon dioxide. B. M. Mognetti, M. Oettel, P. Virnau, L. Yelash, and K. Binder, Molecular Physics 107: 331-341 (2009)
  2. Interactive 3D Phase Diagrams Using Jmol. A. Herráez, R. M. Hanson, and L. Glasser, Journal of Chemical Education 86: 566 (2009) and website
  3. Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: The case of carbon dioxide. B. M. Mognetti, L. Yelash, P. Virnau, W. Paul, K. Binder, M. Müller, and L. G. MacDowell, Journal of Chemical Physics 128: 104501 (2008)
  4. An optimized molecular potential for carbon dioxide. Z. Zhang and Z. Duan, Journal of Chemical Physics 122: 214507 (2005)
  5. Equations of State and Phase Diagrams. L. Glasser, Journal of Chemical Education 79: 874 (2002)
  6. The carbon dioxide dimer. R. Eggenberger, S. Gerber, and H. Huber, Molecular Physics 72: 433-439 (1991)
  7. Interaction site models for carbon dioxide. C. S. Murthy, K. Singer, and I. R. McDonald, Molecular Physics 44: 135-143 (1981)