Adsorption induced transitions in soft porous crystals: An osmotic potential approach to multistability and intermediate structures

被引：75

作者：

Bousquet, David ^{[1
]}

Coudert, Franois-Xavier ^{[2
,3
]}

Fossati, Alexandre G. J. ^{[1
]}

Neimark, Alexander V. ^{[4
]}

Fuchs, Alain H. ^{[2
,3
]}

Boutin, Anne ^{[1
]}

机构：

[1] CNRS ENS UPMC, Dept Chim, Ecole Normale Super, F-75005 Paris, France

[2] CNRS, F-75005 Paris, France

[3] Chim ParisTech, F-75005 Paris, France

[4] Rutgers State Univ, Dept Chem & Biochem Engn, Piscataway, NJ 08854 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2013年 / 138卷 / 17期

关键词：

METAL-ORGANIC-FRAMEWORK; HYDROCARBON ADSORPTION; BREATHING TRANSITIONS; MIL-53; CO2; MODEL; SEPARATION; PRESSURE; SORPTION; THERMODYNAMICS;

D O I：

10.1063/1.4802888

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：

Soft porous crystals are flexible metal-organic frameworks that respond to physical stimuli (temperature, pressure, and gas adsorption) by large changes in their structure and unit cell volume. We propose here a thermodynamic treatment, based on the osmotic ensemble, of the interplay between guest adsorption and host deformation, where the bare host material can undergo elastic deformation, as well as structural transitions between metastable phases in the case of a multistable material. We show that in addition to structural transitions between metastable phases of bistable or multistable host frameworks, a new guest-stabilized host phase can be created when the size of the adsorbate is larger than the empty material's pore size. We then confront the findings of our approach with experimental data for systems exhibiting phenomena such as gate opening and breathing. (C) 2013 AIP Publishing LLC.

引用

页数：9

共 67 条

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