Quenched solid density functional theory method for characterization of mesoporous carbons by nitrogen adsorption

被引:366
作者
Gor, Gennady Yu. [1 ]
Thommes, Matthias [2 ]
Cychosz, Katie A. [2 ]
Neimark, Alexander V. [1 ]
机构
[1] Rutgers State Univ, Dept Chem & Biochem Engn, Piscataway, NJ 08854 USA
[2] Quantachrome Instruments, Boynton Beach, FL 33426 USA
关键词
PORE-SIZE CHARACTERIZATION; CAPILLARY CONDENSATION; SILICAS; HYSTERESIS; FRAMEWORKS; NANOPORES; POLYMERS; MCM-41; MODEL; ARGON;
D O I
10.1016/j.carbon.2011.11.037
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
Quenched solid density functional theory (QSDFT) model for characterization of mesoporous carbons using nitrogen adsorption is extended to cylindrical and spherical pore geometries. The kernels of theoretical isotherms in the range from 0.4 to 50 nm are constructed accounting for different possible variations of the pore shapes in micropore and mesopore regions. The results of QSDFT method are illustrated with experimental data on adsorption on novel CMK-3 and 3DOm carbons. The proposed method is recommended for pore size distribution calculations for micro-mesoporous carbons obtained through various templating mechanisms. (C) 2011 Elsevier Ltd. All rights reserved.
引用
收藏
页码:1583 / 1590
页数:8
相关论文
共 29 条
[1]  
[Anonymous], 2007, ISO159013
[2]   Hierarchical nanofabrication of microporous crystals with ordered mesoporosity [J].
Fan, Wei ;
Snyder, Mark A. ;
Kumar, Sandeep ;
Lee, Pyung-Soo ;
Yoo, Won Cheol ;
McCormick, Alon V. ;
Penn, R. Lee ;
Stein, Andreas ;
Tsapatsis, Michael .
NATURE MATERIALS, 2008, 7 (12) :984-991
[3]   The role of molecular modeling in confined systems: impact and prospects [J].
Gubbins, Keith E. ;
Liu, Ying-Chun ;
Moore, Joshua D. ;
Palmer, Jeremy C. .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (01) :58-85
[4]   Evidence for general nature of pore interconnectivity in 2-dimensional hexagonal mesoporous silicas prepared using block copolymer templates [J].
Joo, SH ;
Ryoo, R ;
Kruk, M ;
Jaroniec, M .
JOURNAL OF PHYSICAL CHEMISTRY B, 2002, 106 (18) :4640-4646
[5]   Ordered nanoporous arrays of carbon supporting high dispersions of platinum nanoparticles [J].
Joo, SH ;
Choi, SJ ;
Oh, I ;
Kwak, J ;
Liu, Z ;
Terasaki, O ;
Ryoo, R .
NATURE, 2001, 412 (6843) :169-172
[6]   Synthesis of new, nanoporous carbon with hexagonally ordered mesostructure [J].
Jun, S ;
Joo, SH ;
Ryoo, R ;
Kruk, M ;
Jaroniec, M ;
Liu, Z ;
Ohsuna, T ;
Terasaki, O .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (43) :10712-10713
[7]   PORE-SIZE DISTRIBUTION ANALYSIS OF MICROPOROUS CARBONS - A DENSITY-FUNCTIONAL THEORY APPROACH [J].
LASTOSKIE, C ;
GUBBINS, KE ;
QUIRKE, N .
JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (18) :4786-4796
[8]  
Lawson C.L., 1995, SOLVING LEAST SQUARE
[9]   Ordered mesoporous polymers and homologous carbon frameworks: Amphiphilic surfactant templating and direct transformation [J].
Meng, Y ;
Gu, D ;
Zhang, FQ ;
Shi, YF ;
Yang, HF ;
Li, Z ;
Yu, CZ ;
Tu, B ;
Zhao, DY .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2005, 44 (43) :7053-7059
[10]   A family of highly ordered mesoporous polymer resin and carbon structures from organic-organic self-assembly [J].
Meng, Yan ;
Gu, Dong ;
Zhang, Fuqiang ;
Shi, Yifeng ;
Cheng, Liang ;
Feng, Dan ;
Wu, Zhangxiong ;
Chen, Zhenxia ;
Wan, Ying ;
Stein, Andreas ;
Zhao, Dongyuan .
CHEMISTRY OF MATERIALS, 2006, 18 (18) :4447-4464