Quenched solid density functional theory and pore size analysis of micro-mesoporous carbons.

Beitrag in einer Fachzeitschrift
(Originalarbeit)


Details zur Publikation

Autorinnen und Autoren: Neimark AV, Lin Y, Ravikovitch PI, Thommes M
Zeitschrift: Carbon
Verlag: Elsevier Ltd.
Jahr der Veröffentlichung: 2009
Band: 47
Heftnummer: 7
Seitenbereich: 1617-1628-1628
ISSN: 0008-6223


Abstract

We present a new model of adsorption on micro-mesoporous carbons based on the quenched solid d. functional theory (QSDFT). QSDFT quant. accounts for the surface geometrical inhomogeneity in terms of the roughness parameter. We developed the QSDFT models for pore size distribution calcns. in the range of pore widths from 0.4 to 35 nm from N at 77.4 K and Ar at 87.3 K adsorption isotherms. The QSDFT model improves significantly the method of adsorption porosimetry: the pore size distribution (PSD) functions do not possess gaps in the regions of ∼1 nm and ∼2 nm, which are typical artifacts of the std. non-local d. functional theory (NLDFT) model that treats the pore walls as homogeneous graphite-like plane surfaces. The advantages of the QSDFT method are demonstrated on various carbons, including activated C fibers, coal based granular C, water purifn. adsorbents, and micro-mesoporous C CMK-1 templated on MCM-48 SiO2. The results of PSD calcns. from N and Ar are consistent, however, Ar adsorption provides a better resoln. of micropore sizes at low vapor pressures than N adsorption. [on SciFinder(R)]


Einrichtungen weiterer Autorinnen und Autoren

Exxon Mobil Corporation
Quantachrome Instruments
The State University of New Jersey (Rutgers)


Zitierweisen

APA:
Neimark, A.V., Lin, Y., Ravikovitch, P.I., & Thommes, M. (2009). Quenched solid density functional theory and pore size analysis of micro-mesoporous carbons. Carbon, 47(7), 1617-1628-1628. https://dx.doi.org/10.1016/j.carbon.2009.01.050

MLA:
Neimark, Alexander V., et al. "Quenched solid density functional theory and pore size analysis of micro-mesoporous carbons." Carbon 47.7 (2009): 1617-1628-1628.

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