Characterization of the porous structure of carbon materials by means of density functional theory

被引：7
|
作者：
Ustinov, E. A. [1 ]
Fenelonov, V. B.
Yakovlev, V. A.
Eletskii, P. I.
机构：
[1] NPO Provita, St Petersburg 199026, Russia
[2] Russian Acad Sci, Siberian Branch, Boreskov Inst Catalysis, Novosibirsk 630090, Russia
来源：
KINETICS AND CATALYSIS | 2007年 / 48卷 / 04期
关键词：
D O I：
10.1134/S0023158407040180
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：
Nitrogen adsorption isotherms were analyzed using density functional theory (DFT) to characterize active carbons. It is shown how the effect of technological parameters on the structure of active carbons can be revealed with the help of DFT. DFT is used to analyze the pore-size distribution and to determine the pore surface area for active carbons of different types.
引用
收藏
页码：589 / 598
页数：10
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