Editing Methane
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| [[TraPPE]] || 148 || 0.373 || <ref>[http://dx.doi.org/10.1021/jp972543+ Marcus G. Martin and J. Ilja Siepmann "Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes,", The Journal of Physical Chemistry B '''102''', pp. 2569-2577 (1998)]</ref> | | [[TraPPE]] || 148 || 0.373 || <ref>[http://dx.doi.org/10.1021/jp972543+ Marcus G. Martin and J. Ilja Siepmann "Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes,", The Journal of Physical Chemistry B '''102''', pp. 2569-2577 (1998)]</ref> | ||
|} | |} | ||
==Plastic crystal phase== | ==Plastic crystal phase== | ||
The methane has a [[Plastic crystals |plastic crystal]] phase. | The methane has a [[Plastic crystals |plastic crystal]] phase. | ||
*[http://dx.doi.org/10.1063/1.439027 David G. Bounds, Michael L. Klein, and G. N. Patey "Molecular dynamics simulation of the plastic phase of solid methane", Journal of Chemical Physics '''72''' pp. 5348-5356 (1980)] | *[http://dx.doi.org/10.1063/1.439027 David G. Bounds, Michael L. Klein, and G. N. Patey "Molecular dynamics simulation of the plastic phase of solid methane", Journal of Chemical Physics '''72''' pp. 5348-5356 (1980)] | ||
*[http://dx.doi.org/10.1103/PhysRevLett.77.2638 M. H. Müser and B. J. Berne "Path-Integral Monte Carlo Scheme for Rigid Tops: Application to the Quantum Rotator Phase Transition in Solid Methane", Physical Review Letters '''77''' pp. 2638-2641 (1996)] | *[http://dx.doi.org/10.1103/PhysRevLett.77.2638 M. H. Müser and B. J. Berne "Path-Integral Monte Carlo Scheme for Rigid Tops: Application to the Quantum Rotator Phase Transition in Solid Methane", Physical Review Letters '''77''' pp. 2638-2641 (1996)] | ||
==Critical properties== | |||
== | 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>. | ||
<ref>[http://dx.doi.org/10.1063/1. | |||
==References== | ==References== | ||
<references/> | <references/> | ||
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*[http://dx.doi.org/10.1080/00268977900103151 S. Murad, D. J. Evans, K. E. Gubbins, W. B. Streett and D. J. Tildesley "Molecular dynamics simulation of dense fluid methane", Molecular Physics '''37''' pp. 725-736 (1979)] | *[http://dx.doi.org/10.1080/00268977900103151 S. Murad, D. J. Evans, K. E. Gubbins, W. B. Streett and D. J. Tildesley "Molecular dynamics simulation of dense fluid methane", Molecular Physics '''37''' pp. 725-736 (1979)] | ||
*[http://dx.doi.org/10.1080/0892702031000117270 Josep C. Pamies, Clare McCabe, Peter T. Cummings and Lourdes F. Vega "Coexistence Densities of Methane and Propane by Canonical Molecular Dynamics and Gibbs Ensemble Monte Carlo Simulations", Molecular Simulation '''29''' pp. 463-470 (2003)] | *[http://dx.doi.org/10.1080/0892702031000117270 Josep C. Pamies, Clare McCabe, Peter T. Cummings and Lourdes F. Vega "Coexistence Densities of Methane and Propane by Canonical Molecular Dynamics and Gibbs Ensemble Monte Carlo Simulations", Molecular Simulation '''29''' pp. 463-470 (2003)] | ||
[[category: models]] | [[category: models]] | ||
[[category: Contains Jmol]] | [[category: Contains Jmol]] |