B DFT Models
N2 - Tarazona NLDFT, Esf = 30.0K
Geometry: Cylinder
Substrate: Oxide
Category: Porosity
Method: Nitrogen at 77K
Model isotherms were calculated using the prescriptions of Tarazona for density dependent
weighting functions and a cylindrical pore geometry. The wall potential used is k = 30 K, typical for
a silica or alumina surface.
This model file is particularly useful for sizing zeolites or zeolite containing materials that have
substantial micropore volume. The reported pore size range is 3.8 to 387 angstroms.
References: P. Tarazona, Phys. Rev. A 31: 2672 (1985).
Idem, Phys. Rev. A 32: 3148 (1985).
P. Tarazona, U. M. B. Marconi, and R. Evans, Mol. Phys. 60: 573 (1987).
N2 - Carbon Slit Pores by NLDFT
Ar - Carbon Slit Pores by NLDFT
Geometry: Slit
Substrate: Carbon
Category: Porosity
Method: Nitrogen at 77K; Argon at 87K
Model isotherms were calculated using the prescriptions of Tarazona for density dependent
weighting functions and a slit-like pore geometry. These models are slightly different from N2-DFT
and Ar-DFT models that were calculated using NLDFT with density independent weighting
functions.
The reported pore size range is from 3.5 to 1000 angstroms.
References: P. Tarazona, Phys. Rev. A 31: 2672 (1985).
Idem, Phys. Rev. A 32: 3148 (1985).
P. Tarazona, U. M. B. Marconi, and R. Evans, Mol. Phys. 60: 573 (1987).
N2 - Carbon Finite Pores, As=6, 2D-NLDFT
Ar - Carbon Finite Pores, As=6, 2D-NLDFT
Geometry: Finite Slit
Substrate: Carbon
Category: Porosity
Method: Nitrogen at 77K; Argon at 87K
B - 10
TriStar II Plus Operator Manual
303-42800-01 (Rev M ) — Sep 2023