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Abstract
Metal organic framework (MOF)-based mixed matrix membranes (MMMs) have received significant attention in the last couple of years due to their high gas permeabilities and high gas selectivities compared to pure polymeric membranes in various gas separation applications. Computational methods that can predict the gas separation performances of MOF-based MMMs are highly valuable since experimental screening of these MMMs is not practical given the very large number of combination of MOFs and polymers. In this review, molecular modeling methods and theoretical permeation models that have been used to assess the gas separation performance of MOF-based MMMs are discussed; opportunities and challenges in modeling of MOF/polymer membranes are addressed.
Keywords: Gas separation, mixed matrix membrane, metal organic framework, molecular modeling, permeability, selectivity, theoretical models.
Current Organic Chemistry
Title:Molecular Modeling of MOF-based Mixed Matrix Membranes
Volume: 18 Issue: 18
Author(s): Ilknur Erucar and Seda Keskin
Affiliation:
Keywords: Gas separation, mixed matrix membrane, metal organic framework, molecular modeling, permeability, selectivity, theoretical models.
Abstract: Metal organic framework (MOF)-based mixed matrix membranes (MMMs) have received significant attention in the last couple of years due to their high gas permeabilities and high gas selectivities compared to pure polymeric membranes in various gas separation applications. Computational methods that can predict the gas separation performances of MOF-based MMMs are highly valuable since experimental screening of these MMMs is not practical given the very large number of combination of MOFs and polymers. In this review, molecular modeling methods and theoretical permeation models that have been used to assess the gas separation performance of MOF-based MMMs are discussed; opportunities and challenges in modeling of MOF/polymer membranes are addressed.
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Cite this article as:
Erucar Ilknur and Keskin Seda, Molecular Modeling of MOF-based Mixed Matrix Membranes, Current Organic Chemistry 2014; 18 (18) . https://dx.doi.org/10.2174/1385272819666140806201636
DOI https://dx.doi.org/10.2174/1385272819666140806201636 |
Print ISSN 1385-2728 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5348 |
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