957
Views
46
CrossRef citations to date
0
Altmetric
Original Articles

Polymers of intrinsic microporosity for gas permeation: a molecular simulation study

, &
Pages 992-1003 | Received 07 Apr 2010, Accepted 31 May 2010, Published online: 05 Nov 2010

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (2)

Annalaura Del Regno & Flor R. Siperstein. (2014) Comparison of generic force fields for packing of concave molecules. Molecular Physics 112:17, pages 2241-2248.
Read now
Zhonglin Luo, Liling Zhang & Jianwen Jiang. (2013) Atomistic insight into micro-phase separation and gas diffusion in PEO–PBT multiblock copolymers. Molecular Simulation 39:11, pages 902-907.
Read now

Articles from other publishers (44)

Elif Begüm Doǧan, Guillaume Maurin & M. Göktuǧ Ahunbay. (2023) Atomistic Insight into the Interfacial Structuring of ZIF-67 MOF/Polymer Composites and Their Propylene–Propane Adsorption Properties. The Journal of Physical Chemistry C 127:41, pages 20491-20502.
Crossref
Basil Wadi, Ayub Golmakani, Tohid N.Borhani, Vasilije Manovic & Seyed Ali Nabavi. (2023) Molecular Simulation Techniques as Applied to Silica and Carbon-Based Adsorbents for Carbon Capture. Energies 16:13, pages 5013.
Crossref
Fidel E. Rodríguez-González, Cenit Soto, Laura Palacio, Ana L. Montero-Alejo, Néstor Escalona, Eduardo Schott, Bibiana Comesaña-Gándara, Claudio A. Terraza & Alain Tundidor-Camba. (2023) Polymers of intrinsic microporosity containing aryl-phthalimide moieties: synthesis, modeling, and membrane gas transport properties. Polymer Chemistry 14:19, pages 2363-2373.
Crossref
Eleonora Ricci, Matteo Minelli & Maria Grazia De Angelis. (2022) Modelling Sorption and Transport of Gases in Polymeric Membranes across Different Scales: A Review. Membranes 12:9, pages 857.
Crossref
Jason Yang, Lei Tao, Jinlong HeJeffrey R. McCutcheon & Ying Li. (2022) Machine learning enables interpretable discovery of innovative polymers for gas separation membranes. Science Advances 8:29.
Crossref
Mao Wang & Jianwen Jiang. (2022) Accelerating Discovery of High Fractional Free Volume Polymers from a Data-Driven Approach. ACS Applied Materials & Interfaces 14:27, pages 31203-31215.
Crossref
Ali K. Sekizkardes, Samir Budhathoki, Lingxiang Zhu, Victor Kusuma, Zi Tong, Joshua S. McNally, Janice A. Steckel, Shouliang Yi & David Hopkinson. (2021) Molecular design and fabrication of PIM-1/polyphosphazene blend membranes with high performance for CO2/N2 separation. Journal of Membrane Science 640, pages 119764.
Crossref
Wan Wei, Mao Wang & Jianwen Jiang. (2021) Molecular Simulation Study on Molecularly Mixed Porous Organic Cage/Polymer Composite Membranes for Water Desalination and Solvent Recovery. ACS Applied Nano Materials 4:10, pages 10378-10388.
Crossref
Wan Wei, Jie Liu & Jianwen Jiang. (2020) Atomistic Simulation Study of Polyarylate/Zeolitic-Imidazolate Framework Mixed-Matrix Membranes for Water Desalination. ACS Applied Nano Materials 3:10, pages 10022-10031.
Crossref
Giuseppe Mensitieri, Giuseppe Scherillo, Costas Panayiotou & Pellegrino Musto. (2020) Towards a predictive thermodynamic description of sorption processes in polymers: The synergy between theoretical EoS models and vibrational spectroscopy. Materials Science and Engineering: R: Reports 140, pages 100525.
Crossref
Alessio Fuoco, Bekir Satilmis, Tamer Uyar, Marcello Monteleone, Elisa Esposito, Chiara Muzzi, Elena Tocci, Mariagiulia Longo, Maria Penelope De Santo, Marek Lanč, Karel Friess, Ondřej Vopička, Pavel Izák & Johannes C. Jansen. (2020) Comparison of pure and mixed gas permeation of the highly fluorinated polymer of intrinsic microporosity PIM-2 under dry and humid conditions: Experiment and modelling. Journal of Membrane Science 594, pages 117460.
Crossref
Pierre Fayon & Lev Sarkisov. (2019) Structure and dynamics of water in molecular models of hydrated polyvinylamine membranes. Physical Chemistry Chemical Physics 21:48, pages 26453-26465.
Crossref
Eleonora Ricci, Aweke Elias Gemeda, Naiying Du, Nanwen Li, Maria Grazia De Angelis, Michael D. Guiver & Giulio C. Sarti. (2019) Sorption of CO2/CH4 mixtures in TZ-PIM, PIM-1 and PTMSP: Experimental data and NELF-model analysis of competitive sorption and selectivity in mixed gases. Journal of Membrane Science 585, pages 136-149.
Crossref
Ankita Mahajan, Swapan K. Bhattacharya, Sébastien Rochat, Andrew D. Burrows, Philip J. Fletcher, Yuanyang Rong, Alan B. Dalton, Neil B. McKeown & Frank Marken. (2018) Polymer of Intrinsic Microporosity (PIM‐7) Coating Affects Triphasic Palladium Electrocatalysis. ChemElectroChem 6:16, pages 4307-4317.
Crossref
Krishna M. Gupta, Jie Liu & Jianwen Jiang. (2019) A molecular simulation study for efficient separation of 2,5-furandiyldimethanamine by a microporous polyarylate membrane. Polymer 175, pages 8-14.
Crossref
Jie Liu & Jianwen Jiang. (2019) Molecular Design of Microporous Polymer Membranes for the Upgrading of Natural Gas. The Journal of Physical Chemistry C 123:11, pages 6607-6615.
Crossref
Jie Liu, Qisong Xu & Jianwen Jiang. (2019) A molecular simulation protocol for swelling and organic solvent nanofiltration of polymer membranes. Journal of Membrane Science 573, pages 639-646.
Crossref
Eleonora Ricci & Maria De Angelis. (2019) Modelling Mixed-Gas Sorption in Glassy Polymers for CO2 Removal: A Sensitivity Analysis of the Dual Mode Sorption Model. Membranes 9:1, pages 8.
Crossref
Qisong Xu, Kang Zhang & Jianwen Jiang. (2018) Molecular Simulation and Analysis of Sorption Process toward Theoretical Prediction for Liquid Permeation through Membranes. The Journal of Physical Chemistry B 122:50, pages 12211-12218.
Crossref
Venkat Padmanabhan. (2018) Polyamides with phosphaphenanthrene skeleton and substituted triphenylamine for gas separation membranes. Journal of Membrane Science 566, pages 129-139.
Crossref
Jie Liu, Xian Kong & Jianwen Jiang. (2018) Solvent nanofiltration through polybenzimidazole membranes: Unravelling the role of pore size from molecular simulations. Journal of Membrane Science 564, pages 782-787.
Crossref
Qisong Xu & Jianwen Jiang. (2018) Computational Characterization of Ultrathin Polymer Membranes in Liquids. Macromolecules 51:18, pages 7169-7177.
Crossref
Grit Kupgan, Lauren J. Abbott, Kyle E. Hart & Coray M. Colina. (2018) Modeling Amorphous Microporous Polymers for CO 2 Capture and Separations . Chemical Reviews 118:11, pages 5488-5538.
Crossref
Qi Shi, Kang Zhang, Ruifeng Lu & Jianwen Jiang. (2018) Water desalination and biofuel dehydration through a thin membrane of polymer of intrinsic microporosity: Atomistic simulation study. Journal of Membrane Science 545, pages 49-56.
Crossref
Ashleigh L. Ward, Sean E. Doris, Longjun Li, Mark A. HughesJr.Jr., Xiaohui Qu, Kristin A. Persson & Brett A. Helms. (2017) Materials Genomics Screens for Adaptive Ion Transport Behavior by Redox-Switchable Microporous Polymer Membranes in Lithium–Sulfur Batteries. ACS Central Science 3:5, pages 399-406.
Crossref
Wai Fen Yong & Tai-Shung Chung. (2017) Mechanically Strong and Flexible Hydrolyzed Polymers of Intrinsic Microporosity (PIM-1) Membranes. Journal of Polymer Science Part B: Polymer Physics 55:4, pages 344-354.
Crossref
Sara Sorribas, Marzieh Tamaddondar & Peter M. Budd. 2017. Comprehensive Membrane Science and Engineering. Comprehensive Membrane Science and Engineering 216 235 .
Liangxiao Tan, Kewei Wang, Qingyin Li, Yuwan Yang, Yunfei Liu & Bien Tan. 2017. Polymer-Engineered Nanostructures for Advanced Energy Applications. Polymer-Engineered Nanostructures for Advanced Energy Applications 71 150 .
D. Ramimoghadam, E. MacA Gray & C.J. Webb. (2016) Review of polymers of intrinsic microporosity for hydrogen storage applications. International Journal of Hydrogen Energy 41:38, pages 16944-16965.
Crossref
Yi-Rui Chen, Liang-Hsun Chen, Kai-Shiun Chang, Tzu-Hao Chen, Yi-Feng Lin & Kuo-Lun Tung. (2016) Structural characteristics and transport behavior of triptycene-based PIMs membranes: A combination study using ab initio calculation and molecular simulations. Journal of Membrane Science 514, pages 114-124.
Crossref
Yuyoung Shin, Eric Prestat, Kai-Ge Zhou, Patricia Gorgojo, Khalid Althumayri, Wayne Harrison, Peter M. Budd, Sarah J. Haigh & Cinzia Casiraghi. (2016) Synthesis and characterization of composite membranes made of graphene and polymers of intrinsic microporosity. Carbon 102, pages 357-366.
Crossref
Robert M. Elder, Daniel B. Knorr, Jan W. Andzelm, Joseph L. Lenhart & Timothy W. Sirk. (2016) Nanovoid formation and mechanics: a comparison of poly(dicyclopentadiene) and epoxy networks from molecular dynamics simulations. Soft Matter 12:19, pages 4418-4434.
Crossref
Aleksandra Gonciaruk, Khalid Althumayri, Wayne J. Harrison, Peter M. Budd & Flor R. Siperstein. (2015) PIM-1/graphene composite: A combined experimental and molecular simulation study. Microporous and Mesoporous Materials 209, pages 126-134.
Crossref
Hendrik Frentrup, Kyle Hart, Coray Colina & Erich Müller. (2015) In Silico Determination of Gas Permeabilities by Non-Equilibrium Molecular Dynamics: CO2 and He through PIM-1. Membranes 5:1, pages 99-119.
Crossref
Jianhai Zhou, Xiang Zhu, Jun Hu, Honglai Liu, Ying Hu & Jianwen Jiang. (2014) Mechanistic insight into highly efficient gas permeation and separation in a shape-persistent ladder polymer membrane. Physical Chemistry Chemical Physics 16:13, pages 6075.
Crossref
Eric M.V. Hoek & Volodymyr V. TarabaraNeil B. McKeown & Peter M. Budd. 2013. Encyclopedia of Membrane Science and Technology. Encyclopedia of Membrane Science and Technology.
Lauren J. Abbott, Kyle E. Hart & Coray M. Colina. (2013) Polymatic: a generalized simulated polymerization algorithm for amorphous polymers. Theoretical Chemistry Accounts 132:3.
Crossref
Laura LeayFlor R. Siperstein. (2013) Single Polymer Chain Surface Area as a Descriptor for Rapid Screening of Microporous Polymers for Gas Adsorption. Adsorption Science & Technology 31:1, pages 99-112.
Crossref
Ole Hölck, Martin Böhning, Matthias Heuchel, Martin R. Siegert & Dieter Hofmann. (2013) Gas sorption isotherms in swelling glassy polymers—Detailed atomistic simulations. Journal of Membrane Science 428, pages 523-532.
Crossref
Weijie Fang, Zhonglin Luo & Jianwen Jiang. (2013) CO 2 capture in poly(ionic liquid) membranes: atomistic insight into the role of anions . Phys. Chem. Chem. Phys. 15:2, pages 651-658.
Crossref
Neil B. McKeown. (2012) Polymers of Intrinsic Microporosity. ISRN Materials Science 2012, pages 1-16.
Crossref
Gregory S. Larsen, Ping Lin, Kyle E. Hart & Coray M. Colina. (2011) Molecular Simulations of PIM-1-like Polymers of Intrinsic Microporosity. Macromolecules 44:17, pages 6944-6951.
Crossref
Weijie Fang, Liling Zhang & Jianwen Jiang. (2011) Gas Permeation and Separation in Functionalized Polymers of Intrinsic Microporosity: A Combination of Molecular Simulations and Ab Initio Calculations. The Journal of Physical Chemistry C 115:29, pages 14123-14130.
Crossref
Liling Zhang, Weijie Fang & Jianwen Jiang. (2011) Effects of Residual Solvent on Membrane Structure and Gas Permeation in a Polymer of Intrinsic Microporosity: Insight from Atomistic Simulation. The Journal of Physical Chemistry C 115:22, pages 11233-11239.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.