Improving the models used for calculating the size distribution of micropore volume of activated carbons from adsorption data

被引:258
作者
Olivier, JP [1 ]
机构
[1] Micromerit Instrument Corp Inc, Norcross, GA 30093 USA
关键词
activated carbon; adsorption; molecular simulation; microporosity;
D O I
10.1016/S0008-6223(98)00139-0
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 widely used model for analyzing micropore distribution in activated carbons assumes an array of semi-infinite, rigid slits of distributed width whose walls are modeled as energetically uniform graphite. Adsorption isotherms can be simulated for this system using GCMC or DFT. Micropore size distributions determined from experimental isotherms using such models usually show minima near two and three molecular diameters effective pore width, regardless of the simulation method used. This may prove to be a model-induced artifact, rather than the real situation. (C) 1998 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码:1469 / 1472
页数:4
相关论文
共 6 条
[1]  
LOPEZRAMON V, CHARACTERIZATION POR
[2]   Characterization of MCM-41 using molecular simulation: Heterogeneity effects [J].
Maddox, MW ;
Olivier, JP ;
Gubbins, KE .
LANGMUIR, 1997, 13 (06) :1737-1745
[3]   Modeling Physical Adsorption on Porous and Nonporous Solids Using Density Functional Theory [J].
Olivier, James P. .
JOURNAL OF POROUS MATERIALS, 1995, 2 (01) :9-17
[4]   PHASE-EQUILIBRIA OF FLUID INTERFACES AND CONFINED FLUIDS - NONLOCAL VERSUS LOCAL DENSITY FUNCTIONALS [J].
TARAZONA, P ;
MARCONI, UMB ;
EVANS, R .
MOLECULAR PHYSICS, 1987, 60 (03) :573-595
[5]   FREE-ENERGY DENSITY FUNCTIONAL FOR HARD-SPHERES [J].
TARAZONA, P .
PHYSICAL REVIEW A, 1985, 31 (04) :2672-2679
[6]  
TARAZONA P, 1985, PHYS REV A, V32, P3148, DOI 10.1103/PhysRevA.32.3148