Computational screening of metal organic frameworks for mixed matrix membrane applications
نویسندگان
چکیده
منابع مشابه
High-throughput computational screening of metal-organic frameworks.
There is an almost unlimited number of metal-organic frameworks (MOFs). This creates exciting opportunities but also poses a problem: how do we quickly find the best MOFs for a given application? Molecular simulations have advanced sufficiently that many MOF properties - especially structural and gas adsorption properties - can be predicted computationally, and molecular modeling techniques are...
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Polymorphic metal-organic framework (MOF) materials offer a platform for small-scale separation of complex mixtures of polycyclic aromatic hydrocarbons (PAHs) and polar compounds. Retention factors show dependence on both analyte dimensions and polarity, suggesting mixed-mode separation, allowing complete resolution of some analytes from multi-component mixtures.
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ژورنال
عنوان ژورنال: Journal of Membrane Science
سال: 2012
ISSN: 0376-7388
DOI: 10.1016/j.memsci.2012.03.050