Issue 2, 2013

CO2 capture in poly(ionic liquid) membranes: atomistic insight into the role of anions

Abstract

We report the first atomistic simulation study to characterize poly(ionic liquid) (PIL) membranes and examine their capability for post-combustion CO2 capture. Four PILs based on 1-vinyl-3-butylimidazolium ([VBIM]+) are examined with four different anions, namely bis(trifluoromethylsulfonyl)imide ([TF2N]), thiocyanate ([SCN]), hexafluorophosphate ([PF6]) and chloride ([Cl]). Gas molecules (CO2 and N2) in [VBIM]+-based PILs interact with polycations more strongly than with anions. Therefore, the role of anions in gas solubility is insignificant, which is in remarkable contrast to monomeric ILs. The solubilities predicted in the four PILs are close and in good agreement with available experimental data. The sorption, diffusion and permeation selectivities of CO2/N2 predicted from simulation are consistent with experiment. Particularly, the diffusion selectivities are approximately equal to one, implying that CO2/N2 separation is governed by sorption. This study provides atomistic insight into the mechanisms of gas sorption, diffusion and permeation in [VBIM]+-based PILs and reveals that polycations play a dominant role in determining gas–membrane interaction and separation.

Graphical abstract: CO2 capture in poly(ionic liquid) membranes: atomistic insight into the role of anions

Supplementary files

Article information

Article type
Paper
Submitted
14 Aug 2012
Accepted
05 Nov 2012
First published
27 Nov 2012

Phys. Chem. Chem. Phys., 2013,15, 651-658

CO2 capture in poly(ionic liquid) membranes: atomistic insight into the role of anions

W. Fang, Z. Luo and J. Jiang, Phys. Chem. Chem. Phys., 2013, 15, 651 DOI: 10.1039/C2CP42837G

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements