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

Tian, Ziqi; Dai, Sheng; Jiang, De-en

doi:10.1021/acsapm.8b00089

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

Journal Article · Tue Dec 04 23:00:00 EST 2018 · ACS Applied Polymer Materials

DOI:https://doi.org/10.1021/acsapm.8b00089· OSTI ID:1855702

^[1]; ^[2]; ^[3]

Chinese Academy of Sciences, Ningbo (China); Univ. of California, Riverside, CA (United States)
Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of California, Riverside, CA (United States)

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. Here, 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.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: AC05-00OR22725; AC02-05CH11231

OSTI ID:: 1855702

Journal Information:: ACS Applied Polymer Materials, Journal Name: ACS Applied Polymer Materials Journal Issue: 1 Vol. 1; ISSN 2637-6105

Publisher:: ACS PublicationsCopyright Statement

Country of Publication:: United States

Language:: English

References (56)

Engineered Transport in Microporous Materials and Membranes for Clean Energy Technologies Li, Changyi; Meckler, Stephen M.; Smith, Zachary P. Advanced Materials, Vol. 30, Issue 8 https://doi.org/10.1002/adma.201704953	journal	January 2018
Metal-Organic Frameworks for Separation Zhao, Xiang; Wang, Yanxiang; Li, Dong-Sheng Advanced Materials, Vol. 30, Issue 37 https://doi.org/10.1002/adma.201705189	journal	March 2018
Targeted Synthesis of a Porous Aromatic Framework with High Stability and Exceptionally High Surface Area Ben, Teng; Ren, Hao; Ma, Shengqian Angewandte Chemie International Edition, Vol. 48, Issue 50, p. 9457-9460 https://doi.org/10.1002/anie.200904637	journal	November 2009
Highly Efficient Enrichment of Volatile Iodine by Charged Porous Aromatic Frameworks with Three Sorption Sites Yan, Zhuojun; Yuan, Ye; Tian, Yuyang Angewandte Chemie International Edition, Vol. 54, Issue 43 https://doi.org/10.1002/anie.201503362	journal	August 2015
Confinement of Ionic Liquids in Nanocages: Tailoring the Molecular Sieving Properties of ZIF-8 for Membrane-Based CO ₂ Capture Ban, Yujie; Li, Zhengjie; Li, Yanshuo Angewandte Chemie International Edition, Vol. 54, Issue 51 https://doi.org/10.1002/anie.201505508	journal	October 2015
Two-Dimensional Metal-Organic Framework Nanosheets for Membrane-Based Gas Separation Peng, Yuan; Li, Yanshuo; Ban, Yujie Angewandte Chemie International Edition, Vol. 56, Issue 33 https://doi.org/10.1002/anie.201703959	journal	July 2017
Ionic Liquid/Metal-Organic Framework Composites: From Synthesis to Applications Kinik, Fatma Pelin; Uzun, Alper; Keskin, Seda ChemSusChem, Vol. 10, Issue 14 https://doi.org/10.1002/cssc.201700716	journal	July 2017
Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Ordered covalent organic frameworks, COFs and PAFs. From preparation to application Díaz, Urbano; Corma, Avelino Coordination Chemistry Reviews, Vol. 311 https://doi.org/10.1016/j.ccr.2015.12.010	journal	March 2016
Water-resistant porous coordination polymers for gas separation Duan, Jingui; Jin, Wanqin; Kitagawa, Susumu Coordination Chemistry Reviews, Vol. 332 https://doi.org/10.1016/j.ccr.2016.11.004	journal	February 2017
The optimal point within the Robeson upper boundary Castro-Dominguez, Bernardo; Leelachaikul, Pornravee; Messaoud, Souha Belhaj Chemical Engineering Research and Design, Vol. 97 https://doi.org/10.1016/j.cherd.2015.03.002	journal	May 2015
Ionic liquids in gas separation processing Shang, Dawei; Liu, Xinyan; Bai, Lu Current Opinion in Green and Sustainable Chemistry, Vol. 5 https://doi.org/10.1016/j.cogsc.2017.03.015	journal	June 2017
The upper bound revisited Robeson, Lloyd M. Journal of Membrane Science, Vol. 320, Issue 1-2, p. 390-400 https://doi.org/10.1016/j.memsci.2008.04.030	journal	July 2008
Recent advances in supported ionic liquid membrane technology Lozano, L. J.; Godínez, C.; de los Ríos, A. P. Journal of Membrane Science, Vol. 376, Issue 1-2 https://doi.org/10.1016/j.memsci.2011.03.036	journal	July 2011
Nanoconfined Ionic Liquids Zhang, Shiguo; Zhang, Jiaheng; Zhang, Yan Chemical Reviews, Vol. 117, Issue 10 https://doi.org/10.1021/acs.chemrev.6b00509	journal	December 2016
CO ₂ Capture and Separations Using MOFs: Computational and Experimental Studies Yu, Jiamei; Xie, Lin-Hua; Li, Jian-Rong Chemical Reviews, Vol. 117, Issue 14 https://doi.org/10.1021/acs.chemrev.6b00626	journal	April 2017
Ionic-Liquid-Based CO ₂ Capture Systems: Structure, Interaction and Process Zeng, Shaojuan; Zhang, Xiangping; Bai, Lu Chemical Reviews, Vol. 117, Issue 14 https://doi.org/10.1021/acs.chemrev.7b00072	journal	May 2017
Measuring Diffusion and Solubility of Slightly Soluble Gases in [C _n MIM][NTf ₂ ] Ionic Liquids Friedrich, Michael F.; Kokolakis, Simon; Lucas, Martin Journal of Chemical & Engineering Data, Vol. 61, Issue 4 https://doi.org/10.1021/acs.jced.5b00990	journal	March 2016
Ionic Liquid/Metal–Organic Framework Composites for H ₂ S Removal from Natural Gas: A Computational Exploration Li, Zhengjie; Xiao, Yuanlong; Xue, Wenjuan The Journal of Physical Chemistry C, Vol. 119, Issue 7 https://doi.org/10.1021/acs.jpcc.5b00019	journal	February 2015
First-Principles Calculation of Quantum Capacitance of Codoped Graphenes as Supercapacitor Electrodes Mousavi-Khoshdel, Morteza; Targholi, Ehsan; Momeni, Mohammad J. The Journal of Physical Chemistry C, Vol. 119, Issue 47 https://doi.org/10.1021/acs.jpcc.5b07943	journal	November 2015
Improving Gas Separation Performance of ZIF-8 by [BMIM][BF ₄ ] Incorporation: Interactions and Their Consequences on Performance Koyuturk, Burak; Altintas, Cigdem; Kinik, F. Pelin The Journal of Physical Chemistry C, Vol. 121, Issue 19 https://doi.org/10.1021/acs.jpcc.7b00848	journal	May 2017
Tuning the Gas Separation Performance of CuBTC by Ionic Liquid Incorporation Sezginel, Kutay B.; Keskin, Seda; Uzun, Alper Langmuir, Vol. 32, Issue 4 https://doi.org/10.1021/acs.langmuir.5b04123	journal	January 2016
Ion-Gated Gas Separation through Porous Graphene Tian, Ziqi; Mahurin, Shannon M.; Dai, Sheng Nano Letters, Vol. 17, Issue 3 https://doi.org/10.1021/acs.nanolett.6b05121	journal	February 2017
[BMIM][PF ₆ ] Incorporation Doubles CO ₂ Selectivity of ZIF-8: Elucidation of Interactions and Their Consequences on Performance Kinik, F. Pelin; Altintas, Cigdem; Balci, Volkan ACS Applied Materials & Interfaces, Vol. 8, Issue 45 https://doi.org/10.1021/acsami.6b11087	journal	November 2016
Future Directions of Membrane Gas Separation Technology Baker, Richard W. Industrial & Engineering Chemistry Research, Vol. 41, Issue 6 https://doi.org/10.1021/ie0108088	journal	March 2002
Molecular Dynamics Simulation of Anion Effect on Solubility, Diffusivity, and Permeability of Carbon Dioxide in Ionic Liquids Liu, Hongjun; Dai, Sheng; Jiang, De-en Industrial & Engineering Chemistry Research, Vol. 53, Issue 25 https://doi.org/10.1021/ie501501k	journal	June 2014
Membrane Gas Separation: A Review/State of the Art Bernardo, P.; Drioli, E.; Golemme, G. Industrial & Engineering Chemistry Research, Vol. 48, Issue 10 https://doi.org/10.1021/ie8019032	journal	May 2009
Carbon Dioxide's Liquid-Vapor Coexistence Curve And Critical Properties as Predicted by a Simple Molecular Model Harris, Jonathan G.; Yung, Kwong H. The Journal of Physical Chemistry, Vol. 99, Issue 31 https://doi.org/10.1021/j100031a034	journal	August 1995
Systematic Tuning and Multifunctionalization of Covalent Organic Polymers for Enhanced Carbon Capture Xiang, Zhonghua; Mercado, Rocio; Huck, Johanna M. Journal of the American Chemical Society, Vol. 137, Issue 41 https://doi.org/10.1021/jacs.5b06266	journal	October 2015
Core–Shell Type Ionic Liquid/Metal Organic Framework Composite: An Exceptionally High CO ₂ /CH ₄ Selectivity Zeeshan, Muhammad; Nozari, Vahid; Yagci, M. Baris Journal of the American Chemical Society, Vol. 140, Issue 32 https://doi.org/10.1021/jacs.8b05802	journal	July 2018
Ionic Liquid/Metal–Organic Framework Composite for CO ₂ Capture: A Computational Investigation Chen, Yifei; Hu, Zhongqiao; Gupta, Krishna M. The Journal of Physical Chemistry C, Vol. 115, Issue 44 https://doi.org/10.1021/jp208361p	journal	October 2011
Enhanced Gas Absorption in the Ionic Liquid 1- n -Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)amide ([hmim][Tf ₂ N]) Confined in Silica Slit Pores: A Molecular Simulation Study Shi, Wei; Luebke, David R. Langmuir, Vol. 29, Issue 18 https://doi.org/10.1021/la400226g	journal	April 2013
Novel Functional Organic Network Containing Quaternary Phosphonium and Tertiary Phosphorus Zhang, Qiang; Zhang, Suobo; Li, Shenghai Macromolecules, Vol. 45, Issue 7 https://doi.org/10.1021/ma300278d	journal	March 2012
Metal–organic frameworks for membrane-based separations Denny, Michael S.; Moreton, Jessica C.; Benz, Lauren Nature Reviews Materials, Vol. 1, Issue 12 https://doi.org/10.1038/natrevmats.2016.78	journal	November 2016
Anionic silicate organic frameworks constructed from hexacoordinate silicon centres Roeser, Jérôme; Prill, Dragica; Bojdys, Michael J. Nature Chemistry, Vol. 9, Issue 10 https://doi.org/10.1038/nchem.2771	journal	May 2017
Metal–organic framework nanosheets in polymer composite materials for gas separation Rodenas, Tania; Luz, Ignacio; Prieto, Gonzalo Nature Materials, Vol. 14, Issue 1 https://doi.org/10.1038/nmat4113	journal	November 2014
Fundamental transport mechanisms, fabrication and potential applications of nanoporous atomically thin membranes Wang, Luda; Boutilier, Michael S. H.; Kidambi, Piran R. Nature Nanotechnology, Vol. 12, Issue 6 https://doi.org/10.1038/nnano.2017.72	journal	June 2017
Ultrathin metal–organic framework membrane production by gel–vapour deposition Li, Wanbin; Su, Pengcheng; Li, Zhanjun Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-00544-1	journal	September 2017
Structure and dynamics of CO ₂ and N ₂ in a tetracyanoborate based ionic liquid Liu, Hongjun; Dai, Sheng; Jiang, De-en Phys. Chem. Chem. Phys., Vol. 16, Issue 5 https://doi.org/10.1039/C3CP54326A	journal	January 2014
Great Prospects for PAF-1 and its derivatives Pei, Cuiying; Ben, Teng; Qiu, Shilun Materials Horizons, Vol. 2, Issue 1 https://doi.org/10.1039/C4MH00163J	journal	January 2015
Cationic microporous polymer networks by polymerisation of weakly coordinating cations with CO ₂ -storage ability Fischer, Sabrina; Schimanowitz, Aneta; Dawson, Robert J. Mater. Chem. A, Vol. 2, Issue 30 https://doi.org/10.1039/C4TA02022G	journal	January 2014
A novel 3D covalent organic framework membrane grown on a porous α-Al ₂ O ₃ substrate under solvothermal conditions Lu, Hui; Wang, Chang; Chen, Juanjuan Chemical Communications, Vol. 51, Issue 85 https://doi.org/10.1039/C5CC06742A	journal	January 2015
Ionic liquid-based materials: a platform to design engineered CO ₂ separation membranes Tomé, Liliana C.; Marrucho, Isabel M. Chemical Society Reviews, Vol. 45, Issue 10 https://doi.org/10.1039/C5CS00510H	journal	January 2016
Nanoporous ionic organic networks: from synthesis to materials applications Sun, Jian-Ke; Antonietti, Markus; Yuan, Jiayin Chemical Society Reviews, Vol. 45, Issue 23 https://doi.org/10.1039/C6CS00597G	journal	January 2016
Nanoscale tailor-made membranes for precise and rapid molecular sieve separation Wang, Jing; Zhu, Junyong; Zhang, Yatao Nanoscale, Vol. 9, Issue 9 https://doi.org/10.1039/C6NR08417F	journal	January 2017
Fabrication of mixed-matrix membrane containing metal–organic framework composite with task-specific ionic liquid for efficient CO ₂ separation Ma, Jing; Ying, Yunpan; Guo, Xiangyu Journal of Materials Chemistry A, Vol. 4, Issue 19 https://doi.org/10.1039/C6TA02611G	journal	January 2016
Nanoscale MOF/organosilica membranes on tubular ceramic substrates for highly selective gas separation Kong, Chunlong; Du, Hongbing; Chen, Liang Energy & Environmental Science, Vol. 10, Issue 8 https://doi.org/10.1039/C7EE00830A	journal	January 2017
Highly selective gas separation membrane using in situ amorphised metal–organic frameworks Kertik, Aylin; Wee, Lik H.; Pfannmöller, Martin Energy & Environmental Science, Vol. 10, Issue 11 https://doi.org/10.1039/C7EE01872J	journal	January 2017
Metal–organic framework supported ionic liquid membranes for CO2 capture: anion effects Gupta, Krishna M.; Chen, Yifei; Hu, Zhongqiao Physical Chemistry Chemical Physics, Vol. 14, Issue 16 https://doi.org/10.1039/c2cp23972h	journal	January 2012
Reactive Monte Carlo and grand-canonical Monte Carlo simulations of the propene metathesis reaction system Hansen, Niels; Jakobtorweihen, Sven; Keil, Frerich J. The Journal of Chemical Physics, Vol. 122, Issue 16 https://doi.org/10.1063/1.1884108	journal	April 2005
RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials Dubbeldam, David; Calero, Sofía; Ellis, Donald E. Molecular Simulation, Vol. 42, Issue 2 https://doi.org/10.1080/08927022.2015.1010082	journal	February 2015
Two-Dimensional and Related Polymers: Concepts, Synthesis, and their Potential Application as Separation Membrane Materials Zang, Yu; Aoki, Toshiki; Teraguchi, Masahiro Polymer Reviews, Vol. 55, Issue 1 https://doi.org/10.1080/15583724.2014.963235	journal	January 2015
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Metal-organic framework nanosheets as building blocks for molecular sieving membranes Peng, Y.; Li, Y.; Ban, Y. Science, Vol. 346, Issue 6215 https://doi.org/10.1126/science.1254227	journal	December 2014

Cited By (1)

Facile Room‐Temperature Synthesis of Novel Porous Three‐Component Hybrid Covalent Organic Polymers and Their Applications towards Sulfadiazine Adsorption Zhang, Fang‐Yuan; Hong, Mei; Liu, Zhi ChemistrySelect, Vol. 4, Issue 43 https://doi.org/10.1002/slct.201903026	journal	November 2019

Similar Records

Ion-gated carbon molecular sieve gas separation membranes

Journal Article · Mon Mar 23 00:00:00 EDT 2020 · Journal of Membrane Science · OSTI ID:1619029

Supported bicyclic amidine ionic liquids as a potential CO₂/N₂ separation medium

Journal Article · Tue Aug 14 00:00:00 EDT 2018 · Journal of Membrane Science · OSTI ID:1468162

Design of Graphene/Ionic Liquid Composites for Carbon Capture

Journal Article · Thu Apr 08 00:00:00 EDT 2021 · ACS Applied Materials and Interfaces · OSTI ID:1808178

Related Subjects

36 MATERIALS SCIENCE
anions
composites
confinement
gas separations
ionic liquids
membranes
molecular dynamics
porous polymers
salts
selectivity
solvents

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

Citation Formats

References (56)

Cited By (1)

Similar Records

Related Subjects