Utilizing the gate-opening mechanism in ZIF-7 for adsorption discrimination between N2O and CO2

Journal of Physical Chemistry C

Volumn 118, Issue 31, 2014, Pages 17831-17837

  Chen, De Li ^a   Wang, Ningwei ^a   Wang, Fang Fang ^a   Xie, Jianwu ^a   Zhong, Yijun ^a   Zhu, Weidong ^a   Johnson, J Karl ^b,c   Krishna, Rajamani ^d  

^a ZHEJIANG NORMAL UNIVERSITY   (China)

^b University of Pittsburgh   (United States)

^c NATIONAL ENERGY TECHNOLOGY LABORATORY   (United States)

^d UNIVERSITY OF AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

GLOBAL WARMING; GREENHOUSE GASES; MIXTURES; OZONE LAYER; SEPARATION;

ADSORPTION/DESORPTION; BREAKTHROUGH EXPERIMENT; GLOBAL WARMING POTENTIAL; INDUSTRIAL PROCESSS; INTERACTION ENERGIES; OPTIMIZED CONDITIONS; THEORETICAL CALCULATIONS; THRESHOLD PRESSURES;

CARBON DIOXIDE;

EID: 84905842953     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp5056733     Document Type: Article

References (47)

1. Houghton, J. T., Callander, B. A., and Verney, S. K., Eds.; Climate change 1992: The supplementary Report to the IPCC Scientific Assessment; IPCC: Cambridge, U.K., 1992.
2. http://epa.gov/climatechange/ghgemissions/gases/n2o.html.
3. 2O): The Dominant Ozone-Depleting Substance Emitted in the 21st Century Science 2009, 326, 123-125
4. 2O in Nitric Acid Production: Where Do We Stand Today? Appl. Catal., B 2003, 44, 117-151
5. EPA. Methane and Nitrous Oxide Emissions from Natural Sources.. U.S. Environmental Protection Agency: Washington, DC, USA, 2010.
6. Groen, J. C.; Pérez-Ramírez, J.; Zhu, W. D. Adsorption of Nitrous Oxide on Silicalite-1 J. Chem. Eng. Data 2002, 47, 587-589
7. 2O Decomposition Microporous Mesoporous Mater. 2013, 167, 38-43
8. 2O over Meso-Fe-ZSM-5 Catalysts Obtained via Alkaline Post-Treatment Catal. Sci. Technol. 2011, 1, 1250-1255
9. Thallapally, P. K.; McGrail, B. P.; Atwood, J. L. Sorption of Nitrogen Oxides in a Nonporous Crystal Chem. Commun.(Cambridge, U. K.) 2007, 1521-1523
10. 2 Sorption Selectivity in Flexible Organic-Inorganic Ionic Crystals Angew. Chem., Int. Ed. 2012, 51, 1635-1639
11. Nelson, R. D., Jr.; Lide, D. R., Jr.; Maryott, A. A. Selected Values of Electric Dipole Moments for Molecules in the Gas Phase, NSRDS-NBS10; National Standard Reference Data System-National Bureau of Standards: Washington, DC, USA, 1967.
12. Anthony, J. L.; Anderson, J. L.; Maginn, E. J.; Brennecke, J. F. Anion Effects on Gas Solubility in Ionic Liquids J. Phys. Chem. B 2005, 109, 6366-6374
13. 4] J. Phys. Chem. B 2011, 115, 3478-3487
14. van der Berg, J.; Zhu, W. D.; Gascon, J.; Moulijn, J. A.; Kapteijn, F. Separation and Permeation Characteristics of a DD3R Zeolite Membrane J. Membr. Sci. 2008, 316, 35-45
15. 2O from Industrial Gaseous Streams by Selective Adsorption over Metal-Exchanged Zeolites Ind. Eng. Chem. Res. 2000, 39, 131-137
16. Park, K. S.; Ni, Z.; Côté, A. P.; Choi, J. Y.; Huang, R.; 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
17. Gücüyener, C.; van der Bergh, J.; Gascon, J.; Kapteijn, F. Ethane/Ethene Separation Turned on Its Head: Selective Ethane Adsorption on the Metal-Organic Framework ZIF-7 through a Gate-Opening Mechanism J. Am. Chem. Soc. 2010, 132, 17704-17706
18. van der Bergh, J.; Gücüyener, C.; Pidko, E. A.; Hensen, E. J. M.; Gascon, J.; Kapteijn, F. Understanding the Anomalous Alkane Selectivity of ZIF-7 in the Separation of Light Alkane/Alkene Mixtures Chem.-Eur. J. 2011, 17, 8832-8840
19. Zhang, J.-P.; Chen, X.-M. Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal J. Am. Chem. Soc. 2009, 131, 5516-5521
20. Zhao, P.; Lampronti, G. I.; Lloyd, G. O.; Suard, E.; Redfern, S. A. T. Direct Visualisation of Carbon Dioxide Adsorption in Gate-Opening Zeolitic Imidazolate Framework J. Mater. Chem. A 2014, 2, 620-623
21. y J. Am. Chem. Soc. 2002, 124, 13519-13526
22. Chen, L.; Mowat, J. P. S.; Fairen-Jimenez, D.; Morrison, C. A.; Thompson, S. P.; Wright, P. A.; Düren, T. Elucidating the Breathing of the Metal-Organic Framework MIL-53(Sc) with ab Initio Molecular Dynamics Simulations and in Situ X-ray Power Diffraction Experiments J. Am. Chem. Soc. 2013, 135, 15763-15773
23. Kresse, G. Ab Initio Molecular-Dynamics for Liquid-Metals J. Non-Cryst. Solid 1995, 193, 222-229
24. Kresse, G.; Hafner, J. Ab Initio Molecular-Dynamics Simulation of the Liquid-Metal-Amorphous-Semiconductor Transition in Germanium Phys. Rev. B 1994, 49 14251
25. Kresse, G.; Furthmuller, J. Efficient Iterative Schemes for ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. B 1996, 54 11169
26. Kresse, G.; Furthmuller, J. Efficiency of ab Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set Comput. Mater. Sci. 1996, 6, 15-50
27. Klimes, J.; Bowler, D. R.; Michaelides, A. Chemical Accuracy for the van der Waals Density Functional J. Phys.: Condens. Matter 2010, 22, 022201
28. Klimes, J.; Bowler, D. R.; Michaelides, A. van der Waals Density Functionals Applied to Solids Phys. Rev. B 2011, 83 195131
29. Monkhorst, H. J.; Pack, J. D. Special Points for Brillouin-Zone Integrations Phys. Rev. B 1976, 13 5188
30. Park, K. S.; Ni, Z.; Côté, A. P.; Choi, J. Y.; Huang, R.; 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
31. Møller, C.; Plesset, M. S. Note on an Approximation Treatment for Many-Electron Systems Phys. Rev. 1934, 46 618
32. Adler, T. B.; Knizia, G.; Werner, H.-J. A Simple and Efficient CCSD(T)-F12 Approximation J. Chem. Phys. 2007, 127 221106
33. Derner, H.-J.; Knizia, G.; Manby, F. R. Explicitly Correlated Coupled Cluster Methods with Pair-Specific Geminals Mol. Phys. 2011, 109, 407-417
34. Werner, H.-J.; Knowles, P. J.; Knizia, G.; Manby, F. R.; Schütz, M.; MOLPRO, Version 2012.1, A Package of ab Initio Programs; see http://www.molpro.net.
35. Heßelmann, A.; Jansen, G.; Schütz, M. Density-Functional Theory-Symmetry-Adapted Intermolecular Perturbation Theory with Density Fitting: A New Efficient Method to Study Intermolecular Interaction Energies J. Chem. Phys. 2005, 122 014103
36. Aguado, S.; Bergeret, G.; Pera-Titus, M.; Moizan, V.; Nieto-Draghi, C.; Bats, N.; Farrusseng, D. Guest-Induced Gate-Opening of a Zeolite Imidazolate Framework New J. Chem. 2011, 35, 546-550
37. Myers, A. L.; Prausnitz, J. M. Thermodynamics of Mixed-Gas Adsorption AIChE J. 1965, 11, 121-127
38. Haldoupis, E.; Nair, S.; Sholl, D. S. Efficient Calculation of Diffusion Limitations in Metal Organic Framework Materials: A Tool for Identifying Materials for Kinetic Separations J. Am. Chem. Soc. 2010, 132, 7528-7539
39. 2 Adsorption in Metal Organic Framework J. Phys. Chem. C 2012, 116, 16957-16968
40. Chen, D.-L.; Mandeltort, L.; Saidi, W. A.; Yates, J. T., Jr.; Cole, M. W.; Johnson, J. K. Is There a Difference in van der Waals Interactions between Rare Gas Atoms Adsorbed on Metallic and Semiconducting Single Walled Carbon Nanotubes? Phys. Rev. Lett. 2013, 110 135503
41. Mandeltort, L.; Chen, D.-L.; Saidi, W. A.; Johnson, J. K.; Cole, M. W.; Yates, J. T., Jr. Experimental and Theoretical Comparison of Gas Desorption Energies on Metallic and Semiconducting Single Walled Carbon Nanotubes J. Am. Chem. Soc. 2013, 135, 7768-7776
42. 2 Binding Within an Amine-Functionalized Nanoporous Solids Science 2010, 330, 650-653
43. 4 (M = Ni, Pt) Eur. J. Inorg. Chem. 2013, 511-519
44. Krishna, R.; Long, J. R. Screening Metal-Organic Frameworks by Analysis of Transient Breakthrough of Gas Mixtures in a Fixed Bed Adsorber J. Phys. Chem. C 2011, 115, 12941-12950
45. Bloch, E. D.; Queen, W. L.; Krishna, R.; Zadrozny, J. M.; Brown, C. M.; Long, J. R. Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(II) Coordination Sites Science 2012, 335, 1606-1610
46. Krishna, R. The Maxwell-Stefan Desorption of Mixture Diffusion in Nanoporous Crystalline Materials Micropororous Mesopororous Mater. 2014, 185, 30-50
47. Reyes, S. C.; Santiesteban, J. G.; Ni, Z.; Paur, C. S.; Kortunov, P.; Zengel, J.; Deckman, H. W. Separation of Carbon Dioxide From Nitrogen Utilizing Zeolitic Imidazolate Framework Materials. U.S. Patent 8,142,745, 2012.