Predicting the performance of zeolite imidazolate framework/polymer mixed matrix membranes for CO 2, CH 4, and H 2 separations using molecular simulations

Industrial and Engineering Chemistry Research

Volumn 51, Issue 43, 2012, Pages 14218-14228

  Yilmaz, Gamze ^a   Keskin, Seda ^a  

^a KOÇ UNIVERSITY   (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

EXPERIMENTAL STUDIES; FILLER PARTICLES; GAS SELECTIVITY; IMIDAZOLATE; MIXED MATRIX MEMBRANES; MOLECULAR SIMULATIONS; PURE POLYMERS;

CARBON DIOXIDE; GAS PERMEABILITY; MOLECULAR STRUCTURE; POLYMERS; SEPARATION;

GAS PERMEABLE MEMBRANES;

EID: 84869012950     PISSN: 08885885     EISSN: 15205045     Source Type: Journal    
DOI: 10.1021/ie302290a     Document Type: Article

References (69)

1. Robeson, L. M. Correlation of Separation Factor Versus Permeability for Polymeric Membranes J. Membr. Sci. 1991, 62, 165-185
2. Robeson, L. M. The Upper Bound Revisited J. Membr. Sci. 2008, 320, 390-400
3. Freeman, B. D. Basis of Permeability/Selectivity Tradeoff Relations in Polymeric Gas Separation Membranes Macromolecules 1999, 32, 375-380
4. Robeson, L. M.; Freeman, B. D.; Paul, D. R.; Rowe, B. W. An Empirical Correlation of Gas Permeability and Permselectivity in Polymers and Its Theoretical Basis J. Membr. Sci. 2009, 341, 178-185
5. Snyder, M. A.; Tsapatsis, M. Hierarchical Nanomanufacturing: From Shaped Zeolite Nanoparitcles to High-Performance Separation Membranes Angew. Chem., Int. Ed. 2007, 46, 7560-7573 (Pubitemid 47556999)
6. Shiflett, M. B.; Foley, H. C. Ultrasonic Deposition of High-Selectivity Nanoporous Carbon Membranes Science 1999, 285, 1902-1905
7. Hinds, B. J.; Chopra, N.; Rantell, T.; Andrews, R.; Gavalas, V.; Bachas, L. Aligned Multiwalled Carbon Nanotube Membranes Science 2004, 303, 62-65 (Pubitemid 38055768)
8. Kariduraganavar, M. Y.; Varghese, J. G.; Choudhari, S. K.; Olley, R. H. Organic-Inorganic Hybrid Membranes: Solving the Trade-Off Phenomenon between Permeation Flux and Selectivity in Pervaporation Ind. Eng. Chem. Res. 2009, 48, 4002-4013
9. Tomita, T.; Nakayama, K.; Sakai, H. Gas Separation Characteristics of DDR Type Zeolite Membrane Micro. Meso. Mater. 2004, 68, 71-75 (Pubitemid 38265751)
10. 4 Separations Adv. Mater. 2006, 18, 2601-2603 (Pubitemid 44563483)
11. Julbe, A. In Introduction to Zeolite Science and Practice, 3 rd ed.; J. Cejka, H. B.; Corma, A.; Schuth, F., Ed.; Elsevier: New York, 2007.
12. Vu, D. Q.; Koros, W. J.; Miller, S. J. Mixed Matrix Membranes Using Carbon Molecular Sieves. I. Preparation and Experimental Results J. Membr. Sci. 2003, 211, 311-334 (Pubitemid 36020458)
13. Das, M.; Perry, J. D.; Koros, W. J. Gas-Transport-Property Performance of Hybrid Carbon Molecular Sieve-Polymer Materials Ind. Eng. Chem. Res. 2010, 49, 9310-9321
14. Moore, T. T.; Koros, W. J. Sorption in Zeolites Modified for Use in Organic-Inorganic Hybrid Membranes Ind. Eng. Chem. Res. 2008, 47, 591-598 (Pubitemid 351269500)
15. Hennepe, H. J. C.; Boswerger, W. B. F.; Bargeman, D.; Mulder, M. H. V.; Smolders, C. A. Zeolite-Filled Silicon Rubber Membranes-Experimental Determination of Concentration Profiles J. Membr. Sci. 1994, 89, 185-196
16. Vankelecom, I. F. J.; Dotremont, C.; Morobe, M.; Uytterhoeven, J. B.; Vandecasteele, C. Zeolite-Filled PDMS Membranes. 1. Sorption of Halogenated Hydrocarbons J. Phys. Chem. B 1997, 101, 2154-2159 (Pubitemid 127617272)
17. Chung, T.; Chan, S.; Wang, R.; Lu, Z.; He, C. Characterization of Permeability and Sorption in Matrimid/C60 Mixed Matrix Membranes J. Membr. Sci. 2003, 211, 91-99 (Pubitemid 35448116)
18. Qiu, S.; Wu, L.; Shi, G.; Zhang, L.; Chen, H.; Gao, C. Preparation and Pervaporation Property of Chitosan Membrane with Functionalized Multiwalled Carbon Nanotubes Ind. Eng. Chem. Res. 2010, 49, 11667-11675
19. Zimmerman, C. M.; Singh, A.; Koros, W. J. Tailoring Mixed Matrix Composite Membranes for Gas Separations J. Membr. Sci. 1997, 137, 145-154 (Pubitemid 28025238)
20. Mahajan, R.; Koros, W. J. Factors Controlling Successful Formation of Mixed-Matrix Gas Separation Materials Ind. Eng. Chem. Res. 2000, 39, 2692-2696 (Pubitemid 30646628)
21. Meek, S. T.; Greathouse, J. A.; Allendorf, M. D. Metal-Organic Frameworks: A Rapidly Growing Class of Versatile Nanoporous Materials Adv. Mater. 2011, 23, 249-267
22. Yehia, H.; Pisklak, T. J.; Ferraris, J. P.; Balkus, K. J.; Musselman, I. H. Methane Facilitated Transport Using Copper(II) Biphenyl Dicarboxylatetriethylenediamine/Poly(3-Acetoxyethylthiophene) Mixed Matrix Membranes Polym. Prepr. 2004, 4, 35-36
23. Car, A.; Stropnik, C.; Peinemann, K. V. Hybrid Membrane Materials with Different Metal-Organic Frameworks (MOFs) for Gas Separation Desalination 2006, 200, 424-426 (Pubitemid 44201701)
24. Basu, S.; Khan, A. L.; Cano-Odena, A; Liub, C.; Vankelecom, I. F. J. Membrane-Based Technologies for Biogas Separations Chem. Soc. Rev. 2010, 39, 750-768
25. Zhang, Y.; Musselman, I. H.; Ferraris, J. P.; Balkus, K. J. Gas Permeability Properties of Matrimid Membranes Containing the Metal-Organic Framework Cu-Bpy-Hfs J. Membr. Sci. 2008, 313, 170-181
26. Perez, E. V.; Balkus, K. J.; Ferraris, J. P.; Musselman, I. H. Mixed-Matrix Membranes Containing MOF-5 for Gas Separations J. Membr. Sci. 2009, 328, 165-173
27. Adams, R.; Carson, C.; Ward, J.; Tannenbaum, R.; Koros, W. Metal Organic Framework Mixed Matrix Membranes for Gas Separations Micro. Mesopor. Mater. 2010, 131, 13-20
28. 2] Mixed Matrix Membranes for Gas Separations J. Membr. Sci. 2010, 362, 478-487
29. 4 at Elevated Pressures Chem. Commun. 2011, 47, 9522-9524
30. Zornoza, B.; Tellez, C.; Coronas, J.; J. Gascon; Kapteijn, F. Metal Organic Framework Based Mixed Matrix Membranes: An Increasingly Important Field of Research with a Large Application Potential. Microporous Mesoporous Mater. 2012, dx.doi.org/10.1016/j.micromeso.2012.03.012.
31. Park, K. S.; Ni, Z.; Cote, A. P.; Choi, J. Y.; Huang, R. D.; Uribe-Romo, F. J.; Chae, H. K.; O'Keeffe, M.; Yaghi, O. M. Exceptional Chemical and Thermal Stability of Zeolitic Imidazolate Frameworks Proc. Natl. Acad. Sci. U. S. A. 2006, 103, 10186-10191 (Pubitemid 44051141)
32. Hayashi, H.; Cote, A. P.; Furukawa, H.; O'Keeffe, M.; Yaghi, O. M. Zeolite A Imidazolate Frameworks Nat. Mater. 2007, 6, 501-506 (Pubitemid 47158267)
33. Phan, A.; Doonan, C. J.; Uribe-Romo, F. J.; Knobler, C. B.; O'Keeffe, M.; Yaghi, O. M. Synthesis, Structure, and Carbon Dioxide Capture Properties of Zeolitic Imidazolate Frameworks Acc. Chem. Res. 2009, 43, 58-67
34. 2 on Zeolitic Imidazolate Frameworks: Experiments and Simulations Chem.-Eur. J. 2010, 16, 1560-1571
35. 2 Transport in Polysulfone Membranes Containing Zeolitic Imidazolate Frameworks as Determined by Permeation and PFG NMR Techniques Macromolecules 2010, 43, 316-325
36. Diaz, K.; Lopez-Gonzalez, M.; Castillo, L. F. d.; Riande, E. Effect of Zeolitic Imidazolate Frameworks on the Gas Transport Performance of Zif8-Poly(1,4-Phenylene Ether-Ether-Sulfone) Hybrid Membranes J. Membr. Sci. 2011, 383, 206-213
37. 2 Binary Gas Mixture Separations Sep. Purif. Technol. 2011, 81, 31-40
38. Basu, S.; Maes, M.; Cano-Odena, A; Alaerts, L.; Vos, D. E. D.; Vankelecom, I. F. J. Solvent Resistant Nanofiltration (SRNF) Membranes Based on Metal-Organic Frameworks J. Membr. Sci. 2009, 344, 190-198
39. Ordonez, M. J. C.; Balkus, K. J.; Ferraris, J. P.; Musselman, I. H. Molecular Sieving Realized with ZIF-8/Matrimid (R) Mixed-Matrix Membranes J. Membr. Sci. 2010, 361, 28-37
40. Zornoza, B.; Seoane, B.; Zamaro, J. M.; Tellez, C.; Coronas, J. Combination of MOFs and Zeolites for Mixed-Matrix Membranes ChemPhysChem 2011, 12, 2781-2785
41. Liu, X. L.; Li, Y. S.; Zhu, G. Q.; Ban, Y. J.; Xu, L. Y.; Yang, W. S. An Organophilic Pervaporation Membrane Derived from Metal-Organic Framework Nanoparticles for Efficient Recovery of Bio-Alcohols Angew. Chem., Int. Ed. 2011, 50, 10636-10639
42. Zhang, C.; Dai, Y.; Johnson, J. R.; Karvan, O.; Koros, W. J. High Performance ZIF-8/6FDA-DAM Mixed Matrix Membrane for Propylene/Propane Separations J. Membr. Sci. 2012, 389, 34-42
43. 2 Separations J. Membr. Sci. 2012, 401, 76-82
44. Song, Q.; Nataraj, S. K.; Roussenova, M. V.; Tan, J. C.; Hughes, D. J.; Li, W.; Bourgoin, P.; Alam, M. A.; Cheetham, A. K.; Al-Muhtaseb, S. A.; Sivaniah, E. Zeolitic Imidazolate Framework (ZIF-8) Based Polymer Nanocomposite Membranes for Gas Separation Energy Environ. Sci. 2012, 5, 8359-8369
45. Bae, T.-H.; Lee, J. S.; Qiu, W.; Koros, W. J.; Jones, C. W.; Nair, S. A High-Performance Gas-Separation Membrane Containing Submicrometer-Sized Metal-Organic Framework Crystals Angew. Chem., Int. Ed. 2010, 49, 9863-9866
46. Seoane, B.; Zamaro, J. M.; Tellez, C.; Coronas, J. Insight into the Crystal Synthesis, Activation and Application of ZIF-20 RSC Adv 2011, 1, 917-922
47. Yang, T. X.; Xiao, Y. C.; Chung, T. S. Poly-/Metal-Benzimidazole Nano-Composite Membranes for Hydrogen Purification Energy Environ. Sci. 2011, 4, 4171-4180
48. Keskin, S.; Sholl, D. S. Selecting Metal Organic Frameworks as Enabling Materials in Mixed Matrix Membranes for High Efficiency Natural Gas Purification Energy Environ. Sci. 2010, 3, 343-351
49. 4 Separations Ind. Eng. Chem. Res. 2011, 50, 12606-12616
50. Atci, E.; Keskin, S. Understanding the Potential of Zeolite Imidazolate Framework Membranes in Gas Separations Using Atomically Detailed Calculations J.Phys. Chem. C 2012, 116, 15525-15537
51. Shimekit, B.; Mukhtara, H.; Murugesan, T. Prediction of the Relative Permeability of Gases in Mixed Matrix Membranes J. Membr. Sci. 2011, 373, 152-159
52. 2 Mixtures in a Bio-MOF Material from Molecular Simulations J. Phys. Chem. C 2011, 115, 6833-6840
53. 2 Mixture Separations Using Metal Organic Framework Membranes and Composites J. Phys. Chem. C 2010, 114, 13047-13054
54. 2 Mixtures in Covalent Organic Frameworks: Molecular Simulations and Theoretical Predictions J. Phys. Chem. C 2012, 116, 1772-1779
55. Skoulidas, A. I.; Sholl, D. S. Self-Diffusion and Transport Diffusion of Light Gases in Metal-Organic Framework Materials Assessed Using Molecular Dynamics Simulations J. Phys. Chem. B 2005, 109, 15760-15768
56. 2 Capture Science 2008, 319, 939-943 (Pubitemid 351263761)
57. Morris, W.; Doonan, C. J.; Furukawa, H.; Banerjee, R.; Yaghi, O. M. Crystals as Molecules: Postsynthesis Covalent Functionalization of Zeolitic Imidazolate Frameworks J. Am. Chem. Soc. 2008, 130, 12626-12627
58. Banerjee, R.; Furukawa, H.; Britt, D.; Knobler, C.; O'Keeffe, M.; Yaghi, O. M. Control of Pore Size and Functionality in Isoreticular Zeolitic Imidazolate Frameworks and Their Carbon Dioxide Selective Capture Properties J. Am. Chem. Soc. 2009, 131, 3875-3877
59. Rappe, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. M. UFF, a Full Periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations J. Am. Chem. Soc. 1992, 114, 10024-10035
60. Sholl, D. S. Understanding Macroscopic Diffusion of Adsorbed Molecules in Crystalline Nanoporous Materials Via Atomistic Simulations Acc. Chem. Res. 2006, 39, 403-411
61. Kesting, R. E.; Fritzsche, A. K. Polymeric Gas Separation Membranes; John Wiley & Sons, Inc.: New York, 1993.
62. 2 Capture J. Membr. Sci. 2010, 360, 323-333
63. Amirjalayer, S.; Tafipolsky, M.; Schmid, R. Molecular Dynamics Simulation of Benzene Diffusion in MOF-5: Importance of Lattice Dynamics Angew. Chem., Int. Ed. 2007, 46, 463-466 (Pubitemid 46142262)
64. Li, K. H.; Olson, D. H.; Seidel, J.; Emge, T. J.; Gong, H. W.; Zeng, H. P.; Li, J. Zeolitic Imidazolate Frameworks for Kinetic Separation of Propane and Propene J. Am. Chem. Soc. 2009, 131, 10368-10369
65. Zhang, C.; Lively, R. P.; Zhang, K.; Johnson, J. R.; Karvan, O.; Koros, W. J. Unexpected Molecular Sieving Properties of Zeolitic Imidazolate Framework-8 J. Phys. Chem. Lett. 2012, 3, 2130-2134
66. 2 in ZIF-8 J. Membr. Sci. 2011, 377, 36-41
67. 2 in ZIF-8 ChemPhysChem 2012, 13, 1-4
68. Merkel, T. C.; Freeman, B. D.; Spontak, R. J.; He, Z.; Pinnau, I.; Meakin, P.; Hill, A. J. Ultrapermeable, Reverse-Selective Nanocomposite Membranes Science 2002, 296, 519-522 (Pubitemid 34408670)
69. Thompson, J. A.; Chapman, K. W.; Koros, W. J.; Jones, C. W.; Nair, S. Sonication-Induced Ostwald Ripening of ZIF-8 Nanoparticles and Formation of ZIF-8/Polymer Composite Membranes Micropor. Mesopor. Mat. 2012, 158, 292-299