ASAP 2460 Operator’s Manual Appendix F
246-42800-01 - Aug 2013 F-9
C02 - DFT Model
Model isotherms were calculated using the non-local prescription of Tarazona, employing molecular
parameters derived from the known bulk properties of carbon dioxide.
AR - Modified Density Functional Model
This model was produced in the same manner as the N2 Modified Density Functional model listed ear-
lier, except applicable to argon adsorbed at 87.3 K.
N2 - Tarazona NLDFT, Esf = 30.0K
References: Mietec Jaroniec, Michal Kruk, James P. Olivier and Stefan Koch, “A
New Method for the Characterization of Mesoporous Silicas,”
Proceedings of COPS-V, 1999, Studies in Surface Science, Vol 128,
Characterization of porous Solids V , Unger, et al, Eds, Elsevier,
Amsterdam, 2000.
James P. Olivier and Mario L. Occelli, “Surface Area and Microporosity
of a Pillared Interlayered Clay (PILC) from a Hybrid Density Functional
Theory (DFT) Method,” The Journal of Physical Chemistry B; 2001,
105(3), 623-629.
M. L. Occelli, J. P. Olivier, J. A. Perdigon-Melon, and A. Auroux,
“Surface Area, Pore Volume Distribution, and Acidity in Mesoporous
Expanded Clay Catalysts from Hybrid Density Functional Theory (DFT)
and Adsorption Microcalorimetry Methods,” Langmuir 2002, 18, 9816-
9823.9b.
James P. Olivier, “The Importance of Surface Heterogeneity in
Developing Characterization Methods.” 6
th
International Symposium on
the Characterization of Porous Solids, Studies in Surface Science and
Catalysis 144, Elsevier, 2002.
James P. Olivier and Mario L. Occelli, “Surface Area and Microporosity
of Pillared Rectorite Catalysts from a Hybrid Density Functional Theory
Method,” Microporous and Mesoporous Materials 2003, 57, 291-296.
Geometry Slit
Substrate Carbon
Category: Porosity
Method: Carbon dioxide at 273 K
Geometry Free Surface
Substrate Any
Category: Surface energy
Method: Argon at 87 K
Geometry Cylinder
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