Characterization of micro-mesoporous materials from nitrogen and toluene adsorption: Experiment and modeling

被引:72
作者
Ravikovitch, PI
Vishnyakov, A
Neimark, AV
Carrott, MMLR
Russo, PA
Carrott, PJ
机构
[1] TRI Princeton, Ctr Modeling & Characterizat Nanoporous Mat, Princeton, NJ 08540 USA
[2] Univ Evora, Dept Quim, P-7000671 Evora, Portugal
[3] Univ Evora, Ctr Quim Evora, P-7000671 Evora, Portugal
关键词
D O I
10.1021/la052202k
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Universal mechanisms of adsorption and capillary condensation of toluene and nitrogen on ordered MCM-41 and PHTS materials are studied by means of high-resolution experiments and Monte Carlo molecular simulations. A molecular simulation model of toluene adsorption in silica nanopores, which accounts for surface heterogeneity, and a hybrid molecular-macsroscopic method for pore size distribution (PSD) calculations have been developed. For a range of reference materials, the PSD results obtained from toluene isotherms are consistent with the results of nitrogen adsorption using the nonlocal density functional theory method.
引用
收藏
页码:513 / 516
页数:4
相关论文
共 40 条
[1]  
ALLEN MP, 1987, COMPUTER SIMLATION L
[2]   Determination of pore size distribution in thin films by ellipsometric porosimetry [J].
Baklanov, MR ;
Mogilnikov, KP ;
Polovinkin, VG ;
Dultsev, FN .
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B, 2000, 18 (03) :1385-1391
[3]   A NEW FAMILY OF MESOPOROUS MOLECULAR-SIEVES PREPARED WITH LIQUID-CRYSTAL TEMPLATES [J].
BECK, JS ;
VARTULI, JC ;
ROTH, WJ ;
LEONOWICZ, ME ;
KRESGE, CT ;
SCHMITT, KD ;
CHU, CTW ;
OLSON, DH ;
SHEPPARD, EW ;
MCCULLEN, SB ;
HIGGINS, JB ;
SCHLENKER, JL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (27) :10834-10843
[4]   PHYSISORPTION OF ARGON, NITROGEN AND OXYGEN BY MCM-41, A MODEL MESOPOROUS ADSORBENT [J].
BRANTON, PJ ;
HALL, PG ;
SING, KSW ;
REICHERT, H ;
SCHUTH, F ;
UNGER, KK .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1994, 90 (19) :2965-2967
[5]  
Carrott MMLR, 2001, MICROPOR MESOPOR MAT, V47, P323
[6]   Experimental and computer simulation studies of the adsorption of ethane, carbon dioxide, and their binary mixtures in MCM-41 [J].
He, YF ;
Seaton, NA .
LANGMUIR, 2003, 19 (24) :10132-10138
[7]   Adsorption study of surface and structural properties of MCM-41 materials of different pore sizes [J].
Kruk, M ;
Jaroniec, M ;
Sayari, A .
JOURNAL OF PHYSICAL CHEMISTRY B, 1997, 101 (04) :583-589
[8]   Monte Carlo simulations of krypton adsorption in nanopores: Influence of pore-wall heterogeneity on the adsorption mechanism [J].
Kuchta, B ;
Llewellyn, P ;
Denoyel, R ;
Firlej, L .
LOW TEMPERATURE PHYSICS, 2003, 29 (9-10) :880-882
[9]  
Lawson C.L., 1995, SIAM
[10]   Structural characterization of porous low-k thin films prepared by different techniques using x-ray porosimetry [J].
Lee, HJ ;
Soles, CL ;
Liu, DW ;
Bauer, BJ ;
Lin, EK ;
Wu, WL ;
Grill, A .
JOURNAL OF APPLIED PHYSICS, 2004, 95 (05) :2355-2359