Carbon dioxide: Difference between revisions
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==References== | ==References== | ||
#'''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)] | #'''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)] | ||
#'''Interactive 3D | #'''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] | ||
#'''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)] | #'''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)] | ||
#'''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)] | #'''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 | #'''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)] | #'''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)] | #'''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]] | ||
[[category:phase diagrams]] | |||
Revision as of 11:27, 1 June 2009
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<jmol> <jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>carbon_dioxide.pdb</wikiPageContents> </jmolApplet></jmol> |
References
- 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)
- Interactive 3D phase diagrams using Jmol. A. Herráez, R. M. Hanson, and L. Glasser, Journal of Chemical Education 86: 566 (2009) and website
- 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)
- An optimized molecular potential for carbon dioxide. Z. Zhang and Z. Duan, Journal of Chemical Physics 122: 214507 (2005)
- Equations of state and phase diagrams. L. Glasser, Journal of Chemical Education 79: 874 (2002)
- The carbon dioxide dimer. R. Eggenberger, S. Gerber, and H. Huber, Molecular Physics 72: 433-439 (1991)
- Interaction site models for carbon dioxide. C. S. Murthy, K. Singer, and I. R. McDonald, Molecular Physics 44: 135-143 (1981)