Quenched solid density functional theory method for characterization of mesoporous carbons by nitrogen adsorption

Gennady Yu Gor; Matthias Thommes; Katie A. Cychosz; Alexander V. Neimark

doi:10.1016/j.carbon.2011.11.037

Quenched solid density functional theory method for characterization of mesoporous carbons by nitrogen adsorption

Gennady Yu Gor, Matthias Thommes, Katie A. Cychosz, Alexander V. Neimark

Research output: Contribution to journal › Article › peer-review

368 Scopus citations

Abstract

Quenched solid density functional theory (QSDFT) model for characterization of mesoporous carbons using nitrogen adsorption is extended to cylindrical and spherical pore geometries. The kernels of theoretical isotherms in the range from 0.4 to 50 nm are constructed accounting for different possible variations of the pore shapes in micropore and mesopore regions. The results of QSDFT method are illustrated with experimental data on adsorption on novel CMK-3 and 3DOm carbons. The proposed method is recommended for pore size distribution calculations for micro-mesoporous carbons obtained through various templating mechanisms.

Original language	English (US)
Pages (from-to)	1583-1590
Number of pages	8
Journal	Carbon
Volume	50
Issue number	4
DOIs	https://doi.org/10.1016/j.carbon.2011.11.037
State	Published - Apr 2012
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Chemistry
General Materials Science

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10.1016/j.carbon.2011.11.037

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title = "Quenched solid density functional theory method for characterization of mesoporous carbons by nitrogen adsorption",

abstract = "Quenched solid density functional theory (QSDFT) model for characterization of mesoporous carbons using nitrogen adsorption is extended to cylindrical and spherical pore geometries. The kernels of theoretical isotherms in the range from 0.4 to 50 nm are constructed accounting for different possible variations of the pore shapes in micropore and mesopore regions. The results of QSDFT method are illustrated with experimental data on adsorption on novel CMK-3 and 3DOm carbons. The proposed method is recommended for pore size distribution calculations for micro-mesoporous carbons obtained through various templating mechanisms.",

author = "Gor, {Gennady Yu} and Matthias Thommes and Cychosz, {Katie A.} and Neimark, {Alexander V.}",

note = "Funding Information: The authors thank Michael Fr{\"o}ba and Michael Tsapatsis for providing 3DOm and CMK-3 samples and additional data; Peter Ravikovitch and Yangzheng Lin for multiple illuminating discussions and help with the QSDFT code. AVN acknowledges partial support from the NSF ERC “Structured Organic Particulate Systems”. ",

year = "2012",

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doi = "10.1016/j.carbon.2011.11.037",

language = "English (US)",

volume = "50",

pages = "1583--1590",

journal = "Carbon",

issn = "0008-6223",

publisher = "Elsevier Limited",

number = "4",

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TY - JOUR

T1 - Quenched solid density functional theory method for characterization of mesoporous carbons by nitrogen adsorption

AU - Gor, Gennady Yu

AU - Thommes, Matthias

AU - Cychosz, Katie A.

AU - Neimark, Alexander V.

N1 - Funding Information: The authors thank Michael Fröba and Michael Tsapatsis for providing 3DOm and CMK-3 samples and additional data; Peter Ravikovitch and Yangzheng Lin for multiple illuminating discussions and help with the QSDFT code. AVN acknowledges partial support from the NSF ERC “Structured Organic Particulate Systems”.

PY - 2012/4

Y1 - 2012/4

N2 - Quenched solid density functional theory (QSDFT) model for characterization of mesoporous carbons using nitrogen adsorption is extended to cylindrical and spherical pore geometries. The kernels of theoretical isotherms in the range from 0.4 to 50 nm are constructed accounting for different possible variations of the pore shapes in micropore and mesopore regions. The results of QSDFT method are illustrated with experimental data on adsorption on novel CMK-3 and 3DOm carbons. The proposed method is recommended for pore size distribution calculations for micro-mesoporous carbons obtained through various templating mechanisms.

AB - Quenched solid density functional theory (QSDFT) model for characterization of mesoporous carbons using nitrogen adsorption is extended to cylindrical and spherical pore geometries. The kernels of theoretical isotherms in the range from 0.4 to 50 nm are constructed accounting for different possible variations of the pore shapes in micropore and mesopore regions. The results of QSDFT method are illustrated with experimental data on adsorption on novel CMK-3 and 3DOm carbons. The proposed method is recommended for pore size distribution calculations for micro-mesoporous carbons obtained through various templating mechanisms.

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M3 - Article

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SP - 1583

EP - 1590

JO - Carbon

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IS - 4

ER -

Quenched solid density functional theory method for characterization of mesoporous carbons by nitrogen adsorption

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