Cylindrical pores: Difference between revisions
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==Lennard-Jones model== | ==Lennard-Jones model== | ||
*[http://dx.doi.org/10.1063/1.454434 Brian K. Peterson, Keith E. Gubbins, Grant S. Heffelfinger, Umberto Marini Bettolo Marconi, and Frank van Swol "Lennard-Jones fluids in cylindrical pores: Nonlocal theory and computer simulation", Journal of Chemical Physics '''88''' pp. 6487-6500 (1988)] | *[http://dx.doi.org/10.1063/1.454434 Brian K. Peterson, Keith E. Gubbins, Grant S. Heffelfinger, Umberto Marini Bettolo Marconi, and Frank van Swol "Lennard-Jones fluids in cylindrical pores: Nonlocal theory and computer simulation", Journal of Chemical Physics '''88''' pp. 6487-6500 (1988)] | ||
==Methane== | ===Methane=== | ||
[[Lennard-Jones model]] for methane (<math>\sigma_{ff} = 0.381 ~nm</math>, <math>\epsilon_{ff} = 148.1 ~K</math>) with six different pore models: | |||
*[http://dx.doi.org/10.1063/1.475261 M. W. Maddox and K. E. Gubbins "A molecular simulation study of freezing/melting phenomena for Lennard-Jones methane in cylindrical nanoscale pores", Journal of Chemical Physics '''107''' pp. 9659-9667 (1997)] | |||
===Nitrogen=== | |||
*[http://dx.doi.org/10.1063/1.1522393 Susana Figueroa-Gerstenmaier, Felipe J. Blas, Josep Bonet Avalos and Lourdes F. Vega "Application of the fundamental measure density functional theory to the adsorption in cylindrical pores", journal of Chemical Physics '''118''' pp. 830-842 (2003)] | |||
==Density-functional theory== | ==Density-functional theory== | ||
[[Tarazona | Tarazona density-functional theory]]: | |||
*[http://dx.doi.org/10.1063/1.454434 Brian K. Peterson, Keith E. Gubbins, Grant S. Heffelfinger, Umberto Marini Bettolo Marconi, and Frank van Swol "Lennard-Jones fluids in cylindrical pores: Nonlocal theory and computer simulation", Journal of Chemical Physics '''88''' pp. 6487-6500 (1988)] | |||
Kierlik and Rosinberg [[Fundamental-measure theory |fundamental-measure density functional theory]]: | |||
*[http://dx.doi.org/10.1063/1.1522393 Susana Figueroa-Gerstenmaier, Felipe J. Blas, Josep Bonet Avalos and Lourdes F. Vega "Application of the fundamental measure density functional theory to the adsorption in cylindrical pores", journal of Chemical Physics '''118''' pp. 830-842 (2003)] | |||
==Integral equations== | |||
*[http://dx.doi.org/10.1080/00268978900100521 Yaoqi Zhou and George Stell "Fluids inside a pore - an integral-equation approach II. Cylindrical pores", Molecular Physics '''66''' pp. 791-796 (1989)] | |||
==References== | ==References== | ||
[[Category: Confined systems]] | [[Category: Confined systems]] | ||
Revision as of 17:52, 24 August 2007
Hard spheres
Lennard-Jones model
Methane
Lennard-Jones model for methane (, ) with six different pore models:
Nitrogen
Density-functional theory
Tarazona density-functional theory:
Kierlik and Rosinberg fundamental-measure density functional theory: