Molecular modeling of MOF membranes for gas separations

Name: Molecular modeling of MOF membranes for gas separations
Author: Fındıkçı, İlknur Eruçar, Keskin, S.

Title	Molecular modeling of MOF membranes for gas separations
Author	Fındıkçı, İlknur Eruçar, Keskin, S.
Publication Date:	2017-01-01
Publication Place	- World Scientific Publishing Co.
Type	Book
Language	English
Digital	Yes
Manuscript	No
Library:	Özyeğin University
Library Asset ID	978-981320771-4
Record ID	991b613a-83b1-4161-a124-6ddaf22bd711
Library Location	Natural and Mathematical Sciences
Date	2017-01-01
Sample Text	Metal organic frameworks (MOFs) have received significant attention as membrane materials in the last decade. MOFs typically have high porosities, tunable pore sizes, large surface areas, reasonable thermal and mechanical stabilities. These properties make them ideal membrane materials for gas separations. Considering the very large number of available MOF structures, it is not practically possible to test membranebased gas-separation performance of MOFs using purely experimental means. Molecular modeling methods are highly useful to complement experimental studies by providing insights into the gas-separation mechanisms of MOFs. Molecular simulation studies have been recently used to screen large numbers of MOFs for gas separation applications to identify the most promising MOF membranes. In this way, experimental efforts, time, and resources can be directed to the materials with the highest separation performance. The aim of this chapter is to review the recent advances in molecular modeling of MOF membranes for gas-separations and address the current opportunities and challenges in using molecular simulations for MOF membranes.
DOI	10.1142/9789813207714_0003

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Özyeğin University

Molecular modeling of MOF membranes for gas separations

Author Fındıkçı, İlknur Eruçar, Keskin, S.

Publication Date 2017-01-01

Publication Place - World Scientific Publishing Co.

Type Book

Language English

Digital Yes

Manuscript No

Library Özyeğin University

Library Asset ID 978-981320771-4

Record ID 991b613a-83b1-4161-a124-6ddaf22bd711

Library Location Natural and Mathematical Sciences

Date 2017-01-01

Sample Text Metal organic frameworks (MOFs) have received significant attention as membrane materials in the last decade. MOFs typically have high porosities, tunable pore sizes, large surface areas, reasonable thermal and mechanical stabilities. These properties make them ideal membrane materials for gas separations. Considering the very large number of available MOF structures, it is not practically possible to test membranebased gas-separation performance of MOFs using purely experimental means. Molecular modeling methods are highly useful to complement experimental studies by providing insights into the gas-separation mechanisms of MOFs. Molecular simulation studies have been recently used to screen large numbers of MOFs for gas separation applications to identify the most promising MOF membranes. In this way, experimental efforts, time, and resources can be directed to the materials with the highest separation performance. The aim of this chapter is to review the recent advances in molecular modeling of MOF membranes for gas-separations and address the current opportunities and challenges in using molecular simulations for MOF membranes.

DOI 10.1142/9789813207714_0003