The assessment of surface areas in porous carbons by two model-independent techniques, the DR equation and DFT

被引:96
作者
Centeno, T. A. [2 ]
Stoeckli, F. [1 ]
机构
[1] Univ Neuchatel, Inst Phys, CH-2000 Neuchatel, Switzerland
[2] CSIC, Inst Nacl Carbon, E-33080 Oviedo, Spain
关键词
DENSITY-FUNCTIONAL THEORY; PORE-SIZE DISTRIBUTION; CARBIDE-DERIVED CARBONS; DOUBLE-LAYER CAPACITANCE; ACTIVATED CARBONS; AQUEOUS-SOLUTIONS; MICROPOROUS CARBONS; HYDROGEN STORAGE; ADSORPTION; CO2;
D O I
10.1016/j.carbon.2010.03.020
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The strong linear correlation observed between S-BET and the micropore volume of 190 carbons with pore widths between 0.5 and 1.8 nm confirms the unreliable character of S-BET, in spite of its frequent use. (It corresponds approximately to 2200-2300 m(2) per cm(3) of micropores, whatever their width). Alternative determinations of the surface area are therefore required. It is shown that two model-independent techniques (Kaneko's comparison plot for nitrogen and the enthalpies of immersion into aqueous solutions of phenol) and two model-dependent approaches (Dubinin's theory and DFT) lead to total surface areas which are in good agreement. Their average S-av is probably a reliable assessment of the total surface area. It is often in disagreement with S-BET, but a closer study of 42 well characterized microporous carbons, for which all four techniques are available, shows that the ratio S-BET/S-av increases linearly with the average pore width. This should be taken into consideration when surface-related properties (e.g., densities of chemical groups or adsorbed species, specific capacitances) are examined on the basis of a single determination and in particular on the BET technique. (C) 2010 Elsevier Ltd. All rights reserved.
引用
收藏
页码:2478 / 2486
页数:9
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