Estimation of the pore-size distribution function from the nitrogen adsorption isotherm. Comparison of density functional theory and the method of Do and co-workers

被引:76
作者
Kowalczyk, P
Terzyk, AP
Gauden, PA
Leboda, R
Szmechtig-Gauden, E
Rychlicki, G
Ryu, ZY
Rong, HQ
机构
[1] Nicholas Copernicus Univ, Dept Chem, Physicochem Carbon Mat Res Grp, PL-87100 Torun, Poland
[2] Mil Inst Chem & Radiometry, Dept Resp Protect, PL-00910 Warsaw, Poland
[3] Marie Curie Sklodowska Univ, Fac Chem, Dept Phys Chem, PL-20031 Lublin, Poland
[4] Nicholas Copernicus Univ, Dept Chem, Chem & Proecol Proc Res Grp, PL-87100 Torun, Poland
[5] Chinese Acad Sci, Inst Coal Chem, Taiyuan 030001, Peoples R China
关键词
activated carbon; adsorption; modeling; porosity; STRUCTURAL HETEROGENEITY; CARBON; ADSORBENTS; MODEL; REGULARIZATION;
D O I
10.1016/S0008-6223(03)00019-8
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
A comparative analysis of the results for the estimation of the pore-size distribution based on the methods of Do and co-workers (ND) and density functional theory (DFT) is given. A new algorithm (ASA, Adsorption Stochastic Algorithm) is adopted and it is shown that this algorithm can be successfully applied for the determination of the PSD curve from the ND method. The obtained results show that, generally, the ND and DFT methods lead to almost the same PSD curves and this similarity is observed for carbons of different origin and possessing different pore structures. However, if the contribution of micropores to the PSD increases, the differences in the fit of ND and DFT to the experimental data are more pronounced. (C) 2003 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码:1113 / 1125
页数:13
相关论文
共 40 条
[1]  
[Anonymous], 1996, Understanding molecular simulation: from algorithms to applications
[2]  
[Anonymous], 1989, CHOICE REV ONLINE, DOI DOI 10.5860/CHOICE.27-0936
[3]  
[Anonymous], 2004, LECT NOTES COMPUT SC
[4]  
Back T, 1996, HDB EVOLUTIONARY COM
[5]   Determination of pore size distributions by regularization and finite element collocation [J].
Bhatia, SK .
CHEMICAL ENGINEERING SCIENCE, 1998, 53 (18) :3239-3249
[6]  
Choma J, 1997, POL J CHEM, V71, P380
[7]   The effect of the choice of pore model on the characterization of the internal structure of microporous carbons using pore size distributions [J].
Davies, GM ;
Seaton, NA .
CARBON, 1998, 36 (10) :1473-1490
[8]  
Do D.D., 1998, ADSORPTION ANAL EQUI
[9]   Effects of adsorbate-adsorbate interaction in the description of adsorption isotherm of hydrocarbons in micro-mesoporous carbonaceous materials [J].
Do, DD ;
Do, HD .
APPLIED SURFACE SCIENCE, 2002, 196 (1-4) :13-29
[10]   Characterization of micro-mesoporous carbon media [J].
Do, DD ;
Nguyen, C ;
Do, HD .
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2001, 187 :51-71