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Title: Screening PIM-1 performance as a membrane for binary mixture separation of gaseous organic compounds

Authors:
; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1592486
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Membrane Science
Additional Journal Information:
Journal Name: Journal of Membrane Science Journal Volume: 599 Journal Issue: C; Journal ID: ISSN 0376-7388
Publisher:
Elsevier
Country of Publication:
Netherlands
Language:
English

Citation Formats

Anstine, Dylan M., Demidov, Alexander G., Mendez, Nicholas F., Morgan, Wesley J., and Colina, Coray M. Screening PIM-1 performance as a membrane for binary mixture separation of gaseous organic compounds. Netherlands: N. p., 2020. Web. doi:10.1016/j.memsci.2019.117798.
Anstine, Dylan M., Demidov, Alexander G., Mendez, Nicholas F., Morgan, Wesley J., & Colina, Coray M. Screening PIM-1 performance as a membrane for binary mixture separation of gaseous organic compounds. Netherlands. https://doi.org/10.1016/j.memsci.2019.117798
Anstine, Dylan M., Demidov, Alexander G., Mendez, Nicholas F., Morgan, Wesley J., and Colina, Coray M. Wed . "Screening PIM-1 performance as a membrane for binary mixture separation of gaseous organic compounds". Netherlands. https://doi.org/10.1016/j.memsci.2019.117798.
@article{osti_1592486,
title = {Screening PIM-1 performance as a membrane for binary mixture separation of gaseous organic compounds},
author = {Anstine, Dylan M. and Demidov, Alexander G. and Mendez, Nicholas F. and Morgan, Wesley J. and Colina, Coray M.},
abstractNote = {},
doi = {10.1016/j.memsci.2019.117798},
journal = {Journal of Membrane Science},
number = C,
volume = 599,
place = {Netherlands},
year = {Wed Apr 01 00:00:00 EDT 2020},
month = {Wed Apr 01 00:00:00 EDT 2020}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1016/j.memsci.2019.117798

Citation Metrics:
Cited by: 13 works
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Works referenced in this record:

Toward Effective CO 2 /CH 4 Separations by Sulfur-Containing PIMs via Predictive Molecular Simulations
journal, June 2013

  • Hart, Kyle E.; Abbott, Lauren J.; McKeown, Neil B.
  • Macromolecules, Vol. 46, Issue 13
  • DOI: 10.1021/ma400334b

Cassandra: An open source Monte Carlo package for molecular simulation
journal, April 2017

  • Shah, Jindal K.; Marin-Rimoldi, Eliseo; Mullen, Ryan Gotchy
  • Journal of Computational Chemistry, Vol. 38, Issue 19
  • DOI: 10.1002/jcc.24807

Transferable Potentials for Phase Equilibria. 6. United-Atom Description for Ethers, Glycols, Ketones, and Aldehydes
journal, November 2004

  • Stubbs, John M.; Potoff, Jeffrey J.; Siepmann, J. Ilja
  • The Journal of Physical Chemistry B, Vol. 108, Issue 45
  • DOI: 10.1021/jp049459w

Polymers of intrinsic microporosity (PIMs): organic materials for membrane separations, heterogeneous catalysis and hydrogen storage
journal, January 2006

  • McKeown, Neil B.; Budd, Peter M.
  • Chemical Society Reviews, Vol. 35, Issue 8, p. 675-683
  • DOI: 10.1039/b600349d

Molecular Simulations of PIM-1-like Polymers of Intrinsic Microporosity
journal, September 2011

  • Larsen, Gregory S.; Lin, Ping; Hart, Kyle E.
  • Macromolecules, Vol. 44, Issue 17
  • DOI: 10.1021/ma200345v

Rapid Prediction of Adsorption Isotherms of a Diverse Range of Molecules in Hyper-Cross-Linked Polymers
journal, June 2019

  • Tang, Dai; Kupgan, Grit; Colina, Coray M.
  • The Journal of Physical Chemistry C, Vol. 123, Issue 29
  • DOI: 10.1021/acs.jpcc.9b04413

Predictive simulations of the structural and adsorptive properties for PIM-1 variations
journal, February 2014


Olefin/paraffin separation performance of asymmetric hollow fiber membrane of 6FDA/BPDA–DDBT copolyimide
journal, February 2003


Alternatives to Cryogenic Distillation: Advanced Porous Materials in Adsorptive Light Olefin/Paraffin Separations
journal, April 2019


Polymatic: a generalized simulated polymerization algorithm for amorphous polymers
journal, January 2013

  • Abbott, Lauren J.; Hart, Kyle E.; Colina, Coray M.
  • Theoretical Chemistry Accounts, Vol. 132, Issue 3
  • DOI: 10.1007/s00214-013-1334-z

Inference from Iterative Simulation Using Multiple Sequences
journal, November 1992


High-Throughput Screening of Metal–Organic Frameworks for CO 2 Capture in the Presence of Water
journal, September 2016


Polymers of Intrinsic Microporosity with Dinaphthyl and Thianthrene Segments
journal, October 2010

  • Du, Naiying; Robertson, Gilles P.; Pinnau, Ingo
  • Macromolecules, Vol. 43, Issue 20
  • DOI: 10.1021/ma101930x

Azide-based Cross-Linking of Polymers of Intrinsic Microporosity (PIMs) for Condensable Gas Separation
journal, March 2011

  • Du, Naiying; Cin, Mauro M. Dal-; Pinnau, Ingo
  • Macromolecular Rapid Communications, Vol. 32, Issue 8
  • DOI: 10.1002/marc.201000775

Molecular Simulation of Ionic Polyimides and Composites with Ionic Liquids as Gas-Separation Membranes
journal, August 2017


Polymers of intrinsic microporosity (PIMs): robust, solution-processable, organic nanoporous materials
journal, January 2004

  • Budd, Peter M.; Ghanem, Bader S.; Makhseed, Saad
  • Chemical Communications, Issue 2
  • DOI: 10.1039/b311764b

Competitive adsorption
journal, May 2007


Transferable Potentials for Phase Equilibria. 4. United-Atom Description of Linear and Branched Alkenes and Alkylbenzenes
journal, August 2000

  • Wick, Collin D.; Martin, Marcus G.; Siepmann, J. Ilja
  • The Journal of Physical Chemistry B, Vol. 104, Issue 33
  • DOI: 10.1021/jp001044x

Maximizing the right stuff: The trade-off between membrane permeability and selectivity
journal, June 2017


Modeling Amorphous Microporous Polymers for CO 2 Capture and Separations
journal, May 2018


Mechanical characterisation of polymer of intrinsic microporosity PIM-1 for hydrogen storage applications
journal, December 2016

  • Polak-Kraśna, Katarzyna; Dawson, Robert; Holyfield, Leighton T.
  • Journal of Materials Science, Vol. 52, Issue 7
  • DOI: 10.1007/s10853-016-0647-4

Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage
journal, March 2017


Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995


Computer-aided discovery of a metal–organic framework with superior oxygen uptake
journal, April 2018


Markov Chain Monte Carlo Convergence Diagnostics: A Comparative Review
journal, June 1996


Cross-linking of Polymer of Intrinsic Microporosity (PIM-1) via nitrene reaction and its effect on gas transport property
journal, December 2013


High-throughput computational screening of 137953 metal–organic frameworks for membrane separation of a CO 2 /N 2 /CH 4 mixture
journal, January 2016

  • Qiao, Zhiwei; Peng, Chunwang; Zhou, Jian
  • Journal of Materials Chemistry A, Vol. 4, Issue 41
  • DOI: 10.1039/C6TA06262H

Relationships between the chemical structures and the solubility, diffusivity, and permselectivity of propylene and propane in 6FDA-based polyimides
journal, January 2000


Continuous Fractional Component Monte Carlo:  An Adaptive Biasing Method for Open System Atomistic Simulations
journal, May 2007

  • Shi, Wei; Maginn, Edward J.
  • Journal of Chemical Theory and Computation, Vol. 3, Issue 4
  • DOI: 10.1021/ct7000039

Polymer ultrapermeability from the inefficient packing of 2D chains
journal, July 2017

  • Rose, Ian; Bezzu, C. Grazia; Carta, Mariolino
  • Nature Materials, Vol. 16, Issue 9
  • DOI: 10.1038/nmat4939

Correlation of separation factor versus permeability for polymeric membranes
journal, October 1991


Plasticization behavior in polymers of intrinsic microporosity (PIM-1): A simulation study from combined Monte Carlo and molecular dynamics
journal, November 2018


Estimating gas permeability and permselectivity of microporous polymers
journal, October 2014


Development and testing of a general amber force field
journal, January 2004

  • Wang, Junmei; Wolf, Romain M.; Caldwell, James W.
  • Journal of Computational Chemistry, Vol. 25, Issue 9
  • DOI: 10.1002/jcc.20035

Sorption and Diffusion of CO2/N2 in gas mixture in thermally-rearranged polymeric membranes: A molecular investigation
journal, April 2017


New relation between diffusion and free volume: I. Predicting gas diffusion
journal, August 2009


High-Performance Carboxylated Polymers of Intrinsic Microporosity (PIMs) with Tunable Gas Transport Properties
journal, August 2009

  • Du, Naiying; Robertson, Gilles P.; Song, Jingshe
  • Macromolecules, Vol. 42, Issue 16
  • DOI: 10.1021/ma9009017

In Silico Determination of Gas Permeabilities by Non-Equilibrium Molecular Dynamics: CO2 and He through PIM-1
journal, March 2015


Transferable Potentials for Phase Equilibria. 8. United-Atom Description for Thiols, Sulfides, Disulfides, and Thiophene
journal, December 2005

  • Lubna, Nusrat; Kamath, Ganesh; Potoff, Jeffrey J.
  • The Journal of Physical Chemistry B, Vol. 109, Issue 50
  • DOI: 10.1021/jp0549125

Development of a General Evaluation Metric for Rapid Screening of Adsorbent Materials for Postcombustion CO 2 Capture
journal, May 2019

  • Leperi, Karson T.; Chung, Yongchul G.; You, Fengqi
  • ACS Sustainable Chemistry & Engineering, Vol. 7, Issue 13
  • DOI: 10.1021/acssuschemeng.9b01418

The upper bound revisited
journal, July 2008


Prediction of adsorption of aromatic hydrocarbons in silicalite from grand canonical Monte Carlo simulations with biased insertions
journal, December 1993

  • Snurr, Randall Q.; Bell, Alexis T.; Theodorou, Doros N.
  • The Journal of Physical Chemistry, Vol. 97, Issue 51
  • DOI: 10.1021/j100153a051

Highly permeable chemically modified PIM-1/Matrimid membranes for green hydrogen purification
journal, January 2013

  • Yong, Wai Fen; Li, Fu Yun; Chung, Tai-Shung
  • Journal of Materials Chemistry A, Vol. 1, Issue 44
  • DOI: 10.1039/c3ta13308g

Hydroxyalkylaminoalkylamide PIMs: Selective Adsorption by Ethanolamine- and Diethanolamine-Modified PIM-1
journal, August 2015


Computational Study of Water Adsorption in the Hydrophobic Metal–Organic Framework ZIF-8: Adsorption Mechanism and Acceleration of the Simulations
journal, October 2017

  • Zhang, Hongda; Snurr, Randall Q.
  • The Journal of Physical Chemistry C, Vol. 121, Issue 43
  • DOI: 10.1021/acs.jpcc.7b06405