Prediction of molecular separation of polar-apolar mixtures on heterogeneous metal-organic frameworks: HKUST-1

Langmuir

Volumn 30, Issue 26, 2014, Pages 7878-7883

  Van Assche, Tom R C ^a   Duerinck, Tim ^a   Van Der Perre, Stijn ^a   Baron, Gino V ^a   Denayer, Joeri F M ^a  

^a VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

METAL IONS; MIXTURES;

ADSORPTION BEHAVIOR; BINARY ADSORPTION; CHEMICAL HETEROGENEITIES; IDEAL ADSORBED SOLUTION THEORIES (IAST); METAL ORGANIC FRAMEWORK; MODEL PREDICTION; MOLECULAR SEPARATION; ORGANIC LINKERS;

CRYSTALLINE MATERIALS;

EID: 84903973467     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la5020253     Document Type: Article

References (40)

1. Huang, Z.-H.; Kang, F.; Zheng, Y.-P.; Yang, J.-B.; Liang, K.-M. Adsorption of Trace Polar Methyl-Ethyl-Ketone and Non-Polar Benzene Vapors on Viscose Rayon-Based Activated Carbon Fibers Carbon 2002, 8, 1363-1367
2. 2 from High Humidity Flue Gas by Vacuum Swing Adsorption with Zeolite 13X Adsorption 2008, 14, 415-422
3. Castillo, J. M.; Vlugt, T. J. H.; Calero, S. Understanding Water Adsorption in Cu-BTC Metal-Organic Frameworks J. Phys. Chem. C 2008, 112, 15934-15939
4. Myers, A. L.; Prausnitz, J. M. Thermodynamics of Mixed-Gas Adsorption AIChE J. 1965, 11, 121-127
5. Erto, A.; Lancia, A.; Musmarra, D. A Real Adsorbed Solution Theory Model for Competitive Multicomponent Liquid Adsorption onto Granular Activated Carbon Microporous Mesoporous Mater. 2012, 154, 45-50
6. Coudert, F. X.; Mellot-Draznieks, C.; Fuchs, A. H.; Boutin, A. Prediction of Breathing and Gate-Opening Transitions Upon Binary Mixture Adsorption in Metal-Organic Frameworks J. Am. Chem. Soc. 2009, 131, 11329-11331
7. 4 in MIL-53(Al) Langmuir 2012, 28, 494-498
8. Coudert, F. X. The Osmotic Framework Adsorbed Solution Theory: Predicting Mixture Coadsorption in Flexible Nanoporous Materials Phys. Chem. Chem. Phys. 2010, 12, 10904-10913
9. 2-Containing Mixtures and Their Consequences for Separation Selectivities in Cage-Type Zeolites Sep. Purif. Technol. 2008, 61, 414-423
10. Valenzuela, D. P.; Myers, A. L.; Talu, O.; Zwiebel, I. Adsorption of Gas Mixtures: Effect of Energetic Heterogenity AIChE J. 1988, 34, 397-402
11. n Science 1999, 283, 1148-1150
12. 2 Adsorbed in HKUST-1 J. Alloys Compd. 2007, 446-447, 385-388
13. 4 on Cu-BTC and MIL-101 Metal-Organic Frameworks: Effect of Open Metal Sites and Adsorbate Polarity Microporous Mesoporous Mater. 2012, 152, 246-252
14. Millward, A. R.; Yaghi, O. M. Metal-Organic Frameworks with Exceptionally High Capacity for Storage of Carbon Dioxide at Room Temperature J. Am. Chem. Soc. 2005, 127, 17998-17999
15. Peralta, D.; Barthelet, K.; Pérez-Pellitero, J.; Chizallet, C.; Chaplais, G.; Simon-Masseron, A.; Pirngruber, G. D. Adsorption and Separation of Xylene Isomers: CPO-27-Ni vs HKUST-1 vs NaY J. Phys. Chem. C 2012, 116, 21844-21855
16. Rubes, M.; Wiersum, A. D.; Llewellyn, P. L.; Grajciar, L.; Bludský, O.; Nachtigall, P. Adsorption of Propane and Propylene on CuBTC Metal-Organic Framework: Combined Theoretical and Experimental Investigation J. Phys. Chem. C 2013, 117, 11159-11167
17. Van Assche, T. R. C.; Duerinck, T.; Gutiérrez-Sevillano, J. J.; Calero, S.; Baron, G. V.; Denayer, J. F. M. High Adsorption Capacities and Two-Step Adsorption of Polar Adsorbates on Copper-Benzene-1,3,5-tricarboxylate Metal-Organic Framework J. Phys. Chem. C 2013, 117, 18100-18111
18. Yang, L.; Naruke, H.; Yamase, T. A Novel Organic/Inorganic Hybrid Nanoporous Material Incorporating Keggin-type Polyoxometalates Inorg. Chem. Commun. 2003, 6, 1020-1024
19. 2 Metal-Organic Framework Stud. Surf. Sci. Catal. 2007, 170, 2048-2053
20. Gutiérrez-Sevillano, J. J.; Vicent-Luna, J. M.; Dubbeldam, D.; Calero, S. Molecular Mechanisms for Adsorption in Cu-BTC Metal Organic Framework J. Phys. Chem. C 2013, 117, 11357-11366
21. Calero, S.; Gutiérrez-Sevillano, J. J.; García- Pérez, E. Effect of the Molecular Interactions on the Separation of Nonpolar Mixtures Using Cu-BTC Metal-Organic Framework Microporous Mesoporous Mater. 2013, 165, 79-83
22. 2: An in Situ Neutron Diffraction Study Microporous Mesoporous Mater. 2010, 136, 50-58
23. Vishnyakov, A.; Ravikovitch, P. I.; Neimark, A. V.; Bülow, M.; Wang, Q. M. Nanopore Structure and Sorption Properties of Cu-BTC Metal-Organic Framework Nano Lett. 2003, 3, 713-718
24. 3 Metal-Organic Framework Langmuir 2007, 23, 3106-3109
25. 2 Adv. Eng. Mater. 2006, 8, 293-296
26. Chmelik, C.; Kärger, J.; Wiebcke, M.; Caro, J.; van Baten, J. M.; Krishna, R. Adsorption and Diffusion of Alkanes in CuBTC Crystals Investigated Using Infra-Red Microscopy and Molecular Simulations Microporous Mesoporous Mater. 2009, 117, 22-32
27. 4 Separation by Adsorption Using Cu-BTC Metal-Organic Framework Ind. Eng. Chem. Res. 2010, 49, 7497-7503
28. Küsgens, P.; Rose, M.; Senkovska, I.; Fröde, H.; Henschel, A.; Siegle, S.; Kaskel, S. Characterization of Metal-Organic Frameworks by Water Adsorption Microporous Mesoporous Mater. 2009, 120, 325-330
29. Van Assche, T. R. C.; Denayer, J. F. M. Fabrication and Separation Performance Evaluation of a Metal-Organic Framework Based Microseparator Device Chem. Eng. Sci. 2013, 95, 65-72
30. Swisher, J. A.; Lin, L. C.; Kim, J.; Smit, B. Evaluating Mixture Adsorption Models Using Molecular Simulation AIChE J. 2013, 59, 3054-3064
31. Cessford, N. F.; Seaton, N. A.; Düren, T. Evaluation of Ideal Adsorbed Solution Theory as a Tool for the Design of Metal-Organic Framework Materials Ind. Eng. Chem. Res. 2012, 51, 4911-4921
32. Van Heest, T.; Teich-McGoldrick, S. L.; Greathouse, J. A.; Allendorf, M. D.; Sholl, D. S. Identification of Metal-Organic Framework Materials for Adsorption Separation of Rare Gases: Applicability of Ideal Adsorbed Solution Theory (IAST) and Effects of Inaccessible Framework Regions J. Phys. Chem. C 2012, 116, 13183-13195
33. 2 J. Am. Chem. Soc. 2006, 128, 15578-15579
34. Bordiga, S.; Regli, L.; Bonino, F.; Groppo, E.; Lamberti, C.; Xiao, B.; Wheatley, P. S.; Morris, R. E.; Zecchina, A. Adsorption Properties of HKUST-1 toward Hydrogen and Other Small Molecules Monitored by IR. Phys Chem. Chem. Phys. 2007, 9, 2676-2685
35. Prestipino, C.; Regli, R.; Vitillo, J. G.; Bonino, F.; Damin, A.; Lamberti, C.; Zecchina, A.; Solari, P. L.; Kongshaug, K. O.; Bordiga, S. Local Structure of Framework Cu(II) in HKUST-1 Metallorganic Framework: Spectroscopic Characterization upon Activation and Interaction with Adsorbates Chem. Mater. 2006, 18, 1337-1346
36. Chen, L.; Grajciar, L.; Nachtigall, P.; Düren, T. Accurate Prediction of Methane Adsorption in a Metal-Organic Framework with Unsaturated Metal Sites by Direct Implementation of an Ab Initio Derived Potential Energy Surface in GCMC Simulation J. Phys. Chem. C 2011, 115, 23074-23080
37. Pham, T.; Forrest, K. A.; Nugent, P.; Belmabkhout, Y.; Luebke, R.; Eddaoudi, M.; Zaworotko, M. J.; Space, B. Understanding Hydrogen Sorption in a Metal-Organic Framework with Open-Metal Sites and Amide Functional Groups J. Phys. Chem. C 2013, 117, 9340-9354
38. Eubank, J. F.; Mouttaki, M.; Cairns, A.J.; Belmabkhout, Y.; Wojtas, L.; Luebke, R.; Alkordi, M.; Eddaoudi, M. The Quest for Modular Nanocages: tbo -MOF as an Archetype for Mutual Substitution, Functionalization, and Expansion of Quadrangular Pillar Building Blocks J. Am. Chem. Soc. 2011, 133, 14204-14207
39. Kallo, D.; Mihalyi, R.M. Mechanism of l-Butene Hydration over Acidic Zeolite and Ion-Exchange Resin Catalysts Appl. Catal., A 1995, 1, 45-56
40. Dejaegere, E. A.; Thybault, J. W.; Marin, G. B.; Baron, G. V.; Denayer, J. F. M. Modeling of Toluene Acetylation with Acetic Anhydride on H-USY Zeolite Ind. Eng. Chem. Res. 2011, 50, 11822-11832