Publication: Recent advances in simulating gas permeation through MOF membranes
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Program
KU-Authors
KU Authors
Co-Authors
Eruçar, İlknur
Advisor
Publication Date
2021
Language
English
Type
Review
Journal Title
Journal ISSN
Volume Title
Abstract
In the last two decades, metal organic frameworks (MOFs) have gained increasing attention in membrane-based gas separations due to their tunable structural properties. Computational methods play a critical role in providing molecular-level information about the membrane properties and identifying the most promising MOF membranes for various gas separations. In this review, we discuss the current state-of-the-art in molecular modeling methods to simulate gas permeation through MOF membranes and review the recent advancements. We finally address current opportunities and challenges of simulating gas permeation through MOF membranes to guide the development of high-performance MOF membranes in the future.
Description
Source:
Materials Advances
Publisher:
Royal Society of Chemistry (RSC)
Keywords:
Subject
Materials science