Macroscopic Simulation of Deformation in Soft Microporous Composites

Journal of Physical Chemistry Letters

Volumn 8, Issue 7, 2017, Pages 1578-1584

  Evans, Jack D ^a   Coudert, François Xavier ^a  

^a PSL RESEARCH UNIVERSITY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPOSITE MEMBRANES; FINITE ELEMENT METHOD; MEMBRANES; MICROPOROSITY; POROUS MATERIALS; SINGLE CRYSTALS;

APPLICATION OF FINITE ELEMENTS; CRYSTALLINE STRUCTURE; LINEAR COMPRESSIBILITIES; MACROSCOPIC SAMPLE; MECHANICAL RESPONSE; MICROPOROUS COMPOSITE; MIXED MATRIX MEMBRANES; REAL-WORLD SYSTEM;

MICROPOROUS MATERIALS;

EID: 85016933418     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/acs.jpclett.7b00397     Document Type: Article

References (37)

1. Horike, S.; Shimomura, S.; Kitagawa, S. Soft Porous Crystals Nat. Chem. 2009, 1, 695-704 10.1038/nchem.444
2. 2 Separation Applications J. Am. Chem. Soc. 2008, 130, 16842-16843 10.1021/ja806391k
3. Horcajada, P.; Serre, C.; Maurin, G.; Ramsahye, N. A.; Balas, F.; Vallet-Regí, M.; Sebban, M.; Taulelle, F.; Férey, G. Flexible Porous Metal-Organic Frameworks for a Controlled Drug Delivery J. Am. Chem. Soc. 2008, 130, 6774-6780 10.1021/ja710973k
4. Férey, G.; Serre, C. Large Breathing Effects in Three-dimensional Porous Hybrid Matter: Facts, Analyses, Rules and Consequences Chem. Soc. Rev. 2009, 38, 1380 10.1039/b804302g
5. Coudert, F.-X. Responsive Metal-Organic Frameworks and Framework Materials: Under Pressure, Taking the Heat, in the Spotlight, with Friends Chem. Mater. 2015, 27, 1905-1916 10.1021/acs.chemmater.5b00046
6. Neimark, A. V.; Coudert, F.-X.; Boutin, A.; Fuchs, A. H. Stress-Based Model for the Breathing of Metal-Organic Frameworks J. Phys. Chem. Lett. 2010, 1, 445-449 10.1021/jz9003087
7. 2 Sorption with a Trace of Alcohol Molecules Langmuir 2011, 27, 6905-6909 10.1021/la201008v
8. 2 Adsorption Adv. Mater. 2007, 19, 2246-2251 10.1002/adma.200602645
9. Krause, S.; Bon, V.; Senkovska, I.; Stoeck, U.; Wallacher, D.; Többens, D. M.; Zander, S.; Pillai, R. S.; Maurin, G.; Coudert, F.-X.; Kaskel, S. A Pressure-Amplifying Framework Material with Negative Gas Adsorption Transitions Nature 2016, 532, 348-352 10.1038/nature17430
10. Evans, J. D.; Fraux, G.; Gaillac, R.; Kohen, D.; Trousselet, F.; Vanson, J.-M.; Coudert, F.-X. Computational Chemistry Methods for Nanoporous Materials Chem. Mater. 2017, 29, 199-212 10.1021/acs.chemmater.6b02994
11. Qiao, Y.; Wang, K.; Yuan, H.; Yang, K.; Zou, B. Negative Linear Compressibility in Organic Mineral Ammonium Oxalate Monohydrate with Hydrogen Bonding Wine-Rack Motifs J. Phys. Chem. Lett. 2015, 6, 2755-2760 10.1021/acs.jpclett.5b01129
12. Siddorn, M.; Coudert, F.-X.; Evans, K. E.; Marmier, A. A Systematic Typology for Negative Poisson’s Ratio Materials and the Prediction of Complete Auxeticity in Pure Silica Zeolite JST Phys. Chem. Chem. Phys. 2015, 17, 17927-17933 10.1039/C5CP01168J
13. Evans, J. D.; Coudert, F.-X. Microscopic Mechanism of Chiral Induction in a Metal-Organic Framework J. Am. Chem. Soc. 2016, 138, 6131-6134 10.1021/jacs.6b02781
14. Zhu, Q.-L.; Xu, Q. Metal-Organic Framework Composites Chem. Soc. Rev. 2014, 43, 5468-5512 10.1039/C3CS60472A
15. 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 10.1002/anie.201006141
16. Bradshaw, D.; Garai, A.; Huo, J. Metal-Organic Framework Growth at Functional Interfaces: Thin Films and Composites for Diverse Applications Chem. Soc. Rev. 2012, 41, 2344-2381 10.1039/C1CS15276A
17. Bétard, A.; Fischer, R. A. Metal-Organic Framework Thin Films: From Fundamentals to Applications Chem. Rev. 2012, 112, 1055-1083 10.1021/cr200167v
18. Zienkiewicz, O. C.; Taylor, R. L. The Finite Element Method: Solid Mechanics; Butterworth-Heinemann: Oxford, 2000; Vol. 2.
19. TM Mixed-Matrix Membranes for H2/CO2Mixture Separations at High Pressure and High Temperature J. Membr. Sci. 2017, 530, 201 10.1016/j.memsci.2017.02.003
20. Hsieh, J. O.; Balkus, K. J.; Ferraris, J. P.; Musselman, I. H. MIL-53 Frameworks in Mixed-Matrix Membranes Microporous Mesoporous Mater. 2014, 196, 165-174 10.1016/j.micromeso.2014.05.006
21. 4 at Elevated Pressures Chem. Commun. 2011, 47, 9522 10.1039/c1cc13431k
22. Coudert, F.-X.; Fuchs, A. H.; Neimark, A. V. Adsorption Deformation of Microporous Composites Dalton Trans. 2016, 45, 4136-4140 10.1039/C5DT03978A
23. Mason, J. A.; Oktawiec, J.; Taylor, M. K.; Hudson, M. R.; Rodriguez, J.; Bachman, J. E.; Gonzalez, M. I.; Cervellino, A.; Guagliardi, A.; Brown, C. M.; Llewellyn, P. L.; Masciocchi, N.; Long, J. R. Methane Storage in Flexible Metal-Organic Frameworks with Intrinsic Thermal Management Nature 2015, 527, 357-361 10.1038/nature15732
24. 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 10.1039/b923980b
25. Singh, T.; Kang, D.-Y.; Nair, S. Rigorous Calculations of Permeation in Mixed-Matrix Membranes: Evaluation of Interfacial Equilibrium Effects and Permeability-based Models J. Membr. Sci. 2013, 448, 160-169 10.1016/j.memsci.2013.08.010
26. Sorribas, S.; Zornoza, B.; Téllez, C.; Coronas, J. Ordered Mesoporous Silica-(ZIF-8) Core-Shell Spheres Chem. Commun. 2012, 48, 9388 10.1039/c2cc34893d
27. Falcaro, P.; Ricco, R.; Doherty, C. M.; Liang, K.; Hill, A. J.; Styles, M. J. MOF Positioning Technology and Device Fabrication Chem. Soc. Rev. 2014, 43, 5513-5560 10.1039/C4CS00089G
28. Park, K. S.; Ni, Z.; Cote, 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 10.1073/pnas.0602439103
29. O’Neill, L. D.; Zhang, H.; Bradshaw, D. Macro-/microporous MOF Composite Beads J. Mater. Chem. 2010, 20, 5720 10.1039/c0jm00515k
30. Sholl, D. S.; Lively, R. P. Seven Chemical Separations to Change the World Nature 2016, 532, 435-437 10.1038/532435a
31. Chung, D. H.; Buessem, W. R. The Elastic Anisotropy of Crystals J. Appl. Phys. 1967, 38, 2010-2012 10.1063/1.1709819
32. Loiseau, T.; Serre, C.; Huguenard, C.; Fink, G.; Taulelle, F.; Henry, M.; Bataille, T.; Férey, G. A Rationale for the Large Breathing of the Porous Aluminum Terephthalate (MIL-53) Upon Hydration Chem.-Eur. J. 2004, 10, 1373-1382 10.1002/chem.200305413
33. Serra-Crespo, P.; Dikhtiarenko, A.; Stavitski, E.; Juan-Alcañiz, J.; Kapteijn, F.; Coudert, F.-X.; Gascon, J. Experimental Evidence of Negative Linear Compressibility in the MIL-53 Metal-Organic Framework Family CrystEngComm 2015, 17, 276-280 10.1039/C4CE00436A
34. Cairns, A. B.; Goodwin, A. L. Negative Linear Compressibility Phys. Chem. Chem. Phys. 2015, 17, 20449-20465 10.1039/C5CP00442J
35. Ortiz, A. U.; Boutin, A.; Fuchs, A. H.; Coudert, F.-X. Anisotropic Elastic Properties of Flexible Metal-Organic Frameworks: How Soft are Soft Porous Crystals Phys. Rev. Lett. 2012, 109, 195502 10.1103/PhysRevLett.109.195502
36. COMSOL Multiphysics 5.0; COMSOL, Inc.: Burlington, MA, 2014.
37. MATLAB, version 8.1.0.604 (R2013a); The MathWorks, Inc.: Natick, MA, 2010.