Electrostatic-field-induced enhancement of gas mixture separation in metal-organic frameworks: A computational study

被引:136
作者
Yang, Qingyuan
Zhong, Chongli [1 ]
机构
[1] Beijing Univ Chem Technol, Dept Chem Engn, Beijing 100029, Peoples R China
[2] Beijing Univ Chem Technol, Minist Educ, Key Lab Nanomat, Beijing 100029, Peoples R China
关键词
adsorption; gas mixtures; metal-organic frameworks; microporous materials; molecular modeling;
D O I
10.1002/cphc.200600191
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
(Graph Presented) Ordered microdomains with different electrostatic field strengths exist in certain metal-organic frameworks (MOFs; see picture), and the electrostatic interactions in MOFs can enhance the separation of some gas mixtures, demonstrating that MOFs have great potential for adsorption separations. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.
引用
收藏
页码:1417 / 1421
页数:5
相关论文
共 36 条
[1]   Interaction of hydrogen with MOF-5 [J].
Bordiga, S ;
Vitillo, JG ;
Ricchiardi, G ;
Regli, L ;
Cocina, D ;
Zecchina, A ;
Arstad, B ;
Bjorgen, M ;
Hafizovic, J ;
Lillerud, KP .
JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (39) :18237-18242
[2]   A microporous metal-organic framework for gas-chromatographic separation of alkanes [J].
Chen, BL ;
Liang, CD ;
Yang, J ;
Contreras, DS ;
Clancy, YL ;
Lobkovsky, EB ;
Yaghi, OM ;
Dai, S .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2006, 45 (09) :1390-1393
[3]  
CHEN BL, 2006, ANGEW CHEM INT ED, V0118
[4]   A chemically functionalizable nanoporous material [Cu3(TMA)2(H2O)3]n [J].
Chui, SSY ;
Lo, SMF ;
Charmant, JPH ;
Orpen, AG ;
Williams, ID .
SCIENCE, 1999, 283 (5405) :1148-1150
[5]   Strong H2 binding and selective gas adsorption within the microporous coordination solid Mg3(O2C-C10H6-CO2)3 [J].
Dinca, M ;
Long, JR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (26) :9376-9377
[6]   Molecular simulation of adsorption of short linear alkanes and their mixtures in silicalite [J].
Du, ZM ;
Manos, G ;
Vlugt, TJH ;
Smit, B .
AICHE JOURNAL, 1998, 44 (08) :1756-1764
[7]   Assessment of isoreticular metal-organic frameworks for adsorption separations:: A molecular simulation study of methane/n-butane mixtures [J].
Düren, T ;
Snurr, RQ .
JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (40) :15703-15708
[8]   Microporous manganese formate: A simple metal-organic porous material with high framework stability and highly selective gas sorption properties [J].
Dybtsev, DN ;
Chun, H ;
Yoon, SH ;
Kim, D ;
Kim, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (01) :32-33
[9]   Adsorption of gases and vapors on nanoporous Ni2(4,4′-bipyridine)3(NO3)4 metal-organic framework materials templated with methanol and ethanol:: Structural effects in adsorption kinetics [J].
Fletcher, AJ ;
Cussen, EJ ;
Bradshaw, D ;
Rosseinsky, MJ ;
Thomas, KM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (31) :9750-9759
[10]  
Frenkel D., 2000, Computational Science Series