Quenched solid density functional theory and pore size analysis of micro-mesoporous carbons.
Neimark AV, Lin Y, Ravikovitch PI, Thommes M (2009)
Publication Type: Journal article, Original article
Subtype: other
Publication year: 2009
Journal
Publisher: Elsevier Ltd.
Book Volume: 47
Pages Range: 1617-1628-1628
Journal Issue: 7
DOI: 10.1016/j.carbon.2009.01.050
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)]
Authors with CRIS profile
Involved external institutions
The State University of New Jersey (Rutgers)
United States (USA) (US)
Quantachrome Instruments
United States (USA) (US)
Exxon Mobil Corporation
United States (USA) (US)
United States (USA) (US)
Quantachrome Instruments
United States (USA) (US)
Exxon Mobil Corporation
United States (USA) (US)
How to cite
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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