Confined Ionic Liquid in an Ionic Porous Aromatic Framework for Gas Separation

Ziqi Tian; Sheng Dai; De En Jiang

doi:10.1021/acsapm.8b00089

Confined Ionic Liquid in an Ionic Porous Aromatic Framework for Gas Separation

Ziqi Tian
, Sheng Dai
, De En Jiang

Nanomaterials Chemistry Group

Research output: Contribution to journal › Article › peer-review

30 Scopus citations

Abstract

Ionic liquids (ILs) and porous frameworks are commonly employed in gas separation, but rarely together. To leverage their combined advantages, we designed a novel system comprising an ionic liquid inside a charged porous-polymer framework. A positively charged ionic porous aromatic framework was impregnated with an ionic liquid to confine the cations and anions inside the polymeric framework via electrostatic interactions. Molecular dynamics and free energy simulations were performed to determine the solubility, diffusivity, and hence permeability of CO2 and CH4 through the composite material. We found that the polymeric framework introduces nanoscale space in the confined IL, improving gas solubility, while the IL promotes gas transport in the porous structure. The confinement impacts CO2 and CH4 very differently regarding their solubility and diffusivity. Through tuning of the ionic-liquid loading, both high CO2 permeability and high CO2/CH4 selectivity could be achieved, overcoming the Robeson upper bound. This work highlights the advantages of confined ionic liquids in an ionic porous-polymer framework in enhancing selective gas separation.

Original language	English
Pages (from-to)	95-102
Number of pages	8
Journal	ACS Applied Polymer Materials
Volume	1
Issue number	1
DOIs	https://doi.org/10.1021/acsapm.8b00089
State	Published - Jan 11 2019

Funding

This work was sponsored by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract DE-AC02-05CH11231.

Keywords

confinement
gas separations
ionic liquids
membranes
molecular dynamics
porous polymers

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10.1021/acsapm.8b00089

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title = "Confined Ionic Liquid in an Ionic Porous Aromatic Framework for Gas Separation",

abstract = "Ionic liquids (ILs) and porous frameworks are commonly employed in gas separation, but rarely together. To leverage their combined advantages, we designed a novel system comprising an ionic liquid inside a charged porous-polymer framework. A positively charged ionic porous aromatic framework was impregnated with an ionic liquid to confine the cations and anions inside the polymeric framework via electrostatic interactions. Molecular dynamics and free energy simulations were performed to determine the solubility, diffusivity, and hence permeability of CO2 and CH4 through the composite material. We found that the polymeric framework introduces nanoscale space in the confined IL, improving gas solubility, while the IL promotes gas transport in the porous structure. The confinement impacts CO2 and CH4 very differently regarding their solubility and diffusivity. Through tuning of the ionic-liquid loading, both high CO2 permeability and high CO2/CH4 selectivity could be achieved, overcoming the Robeson upper bound. This work highlights the advantages of confined ionic liquids in an ionic porous-polymer framework in enhancing selective gas separation.",

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N2 - Ionic liquids (ILs) and porous frameworks are commonly employed in gas separation, but rarely together. To leverage their combined advantages, we designed a novel system comprising an ionic liquid inside a charged porous-polymer framework. A positively charged ionic porous aromatic framework was impregnated with an ionic liquid to confine the cations and anions inside the polymeric framework via electrostatic interactions. Molecular dynamics and free energy simulations were performed to determine the solubility, diffusivity, and hence permeability of CO2 and CH4 through the composite material. We found that the polymeric framework introduces nanoscale space in the confined IL, improving gas solubility, while the IL promotes gas transport in the porous structure. The confinement impacts CO2 and CH4 very differently regarding their solubility and diffusivity. Through tuning of the ionic-liquid loading, both high CO2 permeability and high CO2/CH4 selectivity could be achieved, overcoming the Robeson upper bound. This work highlights the advantages of confined ionic liquids in an ionic porous-polymer framework in enhancing selective gas separation.

AB - Ionic liquids (ILs) and porous frameworks are commonly employed in gas separation, but rarely together. To leverage their combined advantages, we designed a novel system comprising an ionic liquid inside a charged porous-polymer framework. A positively charged ionic porous aromatic framework was impregnated with an ionic liquid to confine the cations and anions inside the polymeric framework via electrostatic interactions. Molecular dynamics and free energy simulations were performed to determine the solubility, diffusivity, and hence permeability of CO2 and CH4 through the composite material. We found that the polymeric framework introduces nanoscale space in the confined IL, improving gas solubility, while the IL promotes gas transport in the porous structure. The confinement impacts CO2 and CH4 very differently regarding their solubility and diffusivity. Through tuning of the ionic-liquid loading, both high CO2 permeability and high CO2/CH4 selectivity could be achieved, overcoming the Robeson upper bound. This work highlights the advantages of confined ionic liquids in an ionic porous-polymer framework in enhancing selective gas separation.

KW - confinement

KW - gas separations

KW - ionic liquids

KW - membranes

KW - molecular dynamics

KW - porous polymers

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Confined Ionic Liquid in an Ionic Porous Aromatic Framework for Gas Separation

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Keywords

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