Transport Diffusivity of CO2 in the Highly Flexible Metal-Organic Framework MIL-53(Cr)

被引：102

作者：

Salles, Fabrice ^{[2
]}

Jobic, Herve ^{[1
]}

Ghoufi, Aziz ^{[3
]}

Llewellyn, Philip L. ^{[4
,5
,6
,7
]}

Serre, Christian ^{[8
]}

Bourrelly, Sandrine ^{[4
,5
,6
,7
]}

Ferey, Gerard ^{[8
]}

Maurin, Guillaume ^{[2
]}

机构：

[1] Univ Lyon, CNRS, Inst Rech Catalyse & Environm Lyon, Lyon, France

[2] Univ Montpellier 2, Inst Charles Gerhardt Montpellier, F-34095 Montpellier 05, France

[3] Univ Rennes 1, CNRS, Inst Phys Rennes, UMR 6251, F-35014 Rennes, France

[4] Univ Aix Marseille 1, Lab Chim Provence, F-13331 Marseille 3, France

[5] Univ Aix Marseille 2, Lab Chim Provence, F-13284 Marseille 07, France

[6] Univ Aix Marseille 3, Lab Chim Provence, F-13628 Aix En Provence, France

[7] CNRS, F-75700 Paris, France

[8] Univ Versailles St Quentin en Yvelines, CNRS, Inst Lavoisier, UMR 8180, Versailles, France

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2009年 / 48卷 / 44期

关键词：

carbon dioxide; diffusion; metal-organic frameworks; molecular dynamics; neutron diffraction; ELASTIC NEUTRON-SCATTERING; MOLECULAR-DYNAMICS SIMULATIONS; LIGHT GASES; CH4; ADSORPTION; SILICALITE; SEPARATION; MIL-47(V); SYSTEMS; STORAGE;

D O I：

10.1002/anie.200902998

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The diffusion mechanism of CO2 in the highly flexible metal-organic framework MIL-53(Cr) (see picture), which undergoes a structural transition between largeand narrow-pore forms, was explored by a combination of quasi-elastic neutron scattering measurements and molecular dynamics simulations. Normal onedimensional diffusion in the large-pore form and single-file one-dimensional diffusion in the narrow-pore form were evidenced. © 2009 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：8335 / 8339

页数：5

共 33 条

[1] Diffusion and separation of CO2 and CH4 in silicalite, C168 schwarzite,and IRMOF-1:: A comparative study from molecular dynamics simulation [J].