Cylindrical pores: Difference between revisions
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*[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)] | *[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's weighted density approximation]]: | ||
*[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)] | ||
Kierlik and Rosinberg [[Fundamental-measure theory |fundamental-measure density functional theory]]: | 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)] | *[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== | ==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)] | *[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)] | ||
Latest revision as of 13:37, 19 October 2007
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Hard spheres[edit]
Lennard-Jones model[edit]
Methane[edit]
Lennard-Jones model for methane (, ) with six different pore models:
Nitrogen[edit]
Density-functional theory[edit]
Tarazona's weighted density approximation:
Kierlik and Rosinberg fundamental-measure density functional theory: