Exact matrix treatment of statistical mechanical lattice model of adsorption induced gate opening in metal-organic frameworks
نویسندگان
چکیده
منابع مشابه
Exact matrix treatment of statistical mechanical lattice model of adsorption induced gate opening in metal-organic frameworks
Here we present a statistical mechanical lattice model which is exactly solvable using a matrix method and allows treatment of adsorption induced gate opening structural transformations of metal-organic frameworks which are nanoporous materials with exceptional adsorption properties. Modelling of these structural changes presents a serious theoretical challenge when the solid and gas species ar...
متن کاملPrediction of breathing and gate-opening transitions upon binary mixture adsorption in metal-organic frameworks.
Among the numerous applications of metal-organic frameworks (MOFs), a topical class of nanoporous materials, adsorptive separation is gaining considerable attention. Some of the most exciting candidates for gas separation processes exhibit structural transitions, such as breathing and gate opening. While predictive analytical methods are crucial in separation science and have been widely used f...
متن کاملCharacterisation of metal organic frameworks for adsorption cooling
Silica gel/water adsorption cooling systems suffer from size, performance and cost limitations. Therefore, there is a need for new adsorbent materials that outperform silica gel. Metal organic frameworks (MOFs) are newmicro-porousmaterials that have extraordinary porosity and uniform structure. Due to the lack of published data that characterise MOF/water adsorption, this paper experimentally i...
متن کاملAzulene based metal-organic frameworks for strong adsorption of H2.
Two Zn MOFs, MOF-645 and MOF-646, comprised of polarized 1,3-azulenedicarboxylate were synthesized. The guest free MOF-646 showed strong MOF-H(2) interactions (7.8-6.8 kJ mol(-1)), which revealed the significant impact of internally polarized azulene backbone to stabilized H(2) molecules in the framework.
متن کاملGas adsorption applications of porous metal–organic frameworks*
Porous metal–organic frameworks (MOFs) represent a new type of functional materials and have recently become a hot research field due to their great potential in various applications. In this review, recent progress of gas adsorption applications of porous MOFs, mainly including hydrogen storage, methane storage, and selective gas adsorption will be briefly summarized.
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Statistical Mechanics: Theory and Experiment
سال: 2015
ISSN: 1742-5468
DOI: 10.1088/1742-5468/2015/05/p05008