Current Organic Chemistry

Atta-ur-Rahman , FRS
Honorary Life Fellow
Kings College
University of Cambridge
Cambridge
UK

Back

Molecular Modeling of MOF-based Mixed Matrix Membranes

Author(s): Ilknur Erucar, Seda Keskin.

Graphical Abstract:


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.

Order Reprints Order Eprints Rights & PermissionsPrintExport

Article Details

VOLUME: 18
ISSUE: 18
Year: 2014
Page: [2364 - 2380]
Pages: 17
DOI: 10.2174/1385272819666140806201636
Price: $58