000261899 001__ 261899
000261899 005__ 20190619220104.0
000261899 022__ $$a1944-8244
000261899 02470 $$a000448754500052$$2isi
000261899 0247_ $$a10.1021/acsami.8b13362$$2doi
000261899 037__ $$aARTICLE
000261899 245__ $$aBiporous Metal-Organic Framework with Tunable CO2/CH4 Separation Performance Facilitated by Intrinsic Flexibility
000261899 269__ $$a2018-10-24
000261899 260__ $$c2018-10-24
000261899 336__ $$aJournal Articles
000261899 520__ $$aIn this work, we report the synthesis of SION-8, a novel metal-organic framework (MOF) based on Ca(II) and a tetracarboxylate ligand TBAPy(4-) endowed with two chemically distinct types of pores characterized by their hydrophobic and hydrophilic properties. By altering the activation conditions, we gained access to two bulk materials: the fully activated SION-8F and the partially activated SION-8P with exclusively the hydrophobic pores activated. SION-8P shows high affinity for both CO2 (Q(st) = 28.4 kJ/mol) and CH4 (Q(st) = 21.4 kJ/mol), while upon full activation, the difference in affinity for CO2 (Q(st) = 23.4 kJ/mol) and CH4 (Q(st) = 16.0 kJ/mol) is more pronounced. The intrinsic flexibility of both materials results in complex adsorption behavior and greater adsorption of gas molecules than if the materials were rigid. Their CO2/CH4 separation performance was tested in fixed-bed breakthrough experiments using binary gas mixtures of different compositions and rationalized in terms of molecular interactions. SION-8F showed a 40-160% increase (depending on the temperature and the gas mixture composition probed) of the CO2/CH4 dynamic breakthrough selectivity compared to SION-8P, demonstrating the possibility to rationally tune the separation performance of a single MOF by manipulating the stepwise activation made possible by the MOF's biporous nature.
000261899 542__ $$fCC BY-SA
000261899 650__ $$aNanoscience & Nanotechnology
000261899 650__ $$aMaterials Science, Multidisciplinary
000261899 650__ $$aScience & Technology - Other Topics
000261899 650__ $$aMaterials Science
000261899 6531_ $$ametal-oranic frameworks
000261899 6531_ $$abiporous mofs
000261899 6531_ $$agas adsorption
000261899 6531_ $$abreakthrough curves
000261899 6531_ $$aco2/ch4 separation
000261899 6531_ $$acarbon-dioxide capture
000261899 6531_ $$ahydrophobic channels
000261899 6531_ $$aforce-field
000261899 6531_ $$aco2 capture
000261899 6531_ $$aadsorption
000261899 6531_ $$awater
000261899 6531_ $$ach4
000261899 6531_ $$acrystal
000261899 6531_ $$agases
000261899 6531_ $$asimulations
000261899 700__ $$g264214$$aGladysiak, Andrzej$$0249538
000261899 700__ $$aDeeg, Kathryn S.
000261899 700__ $$aDoygaliuk, Iurii
000261899 700__ $$g267537$$aChidambaram, Arunraj$$0250001
000261899 700__ $$aOrdiz, Kaili
000261899 700__ $$g263518$$aBoyd, Peter G.$$0249537
000261899 700__ $$g234261$$aMoosavi, Seyed Mohamad$$0249399
000261899 700__ $$g261182$$aOngari, Daniele$$0249370
000261899 700__ $$aNavarro, Jorge A. R.
000261899 700__ $$0248290$$aSmit, Berend$$g242254
000261899 700__ $$0248883$$aStylianou, Kyriakos C.$$g255544
000261899 773__ $$q36144-36156$$k42$$j10$$tAcs Applied Materials & Interfaces
000261899 8560_ $$fberend.smit@epfl.ch
000261899 8564_ $$uhttps://infoscience.epfl.ch/record/261899/files/gla182.pdf$$zFinal$$s4586974
000261899 8564_ $$uhttps://infoscience.epfl.ch/record/261899/files/gla1_untitled-13_med_hr.png$$s229394
000261899 909C0 $$zBorel, Alain$$xU12939$$pLSMO$$mberend.smit@epfl.ch$$0252509
000261899 909CO $$qGLOBAL_SET$$pSB$$particle$$ooai:infoscience.epfl.ch:261899
000261899 961__ $$afantin.reichler@epfl.ch
000261899 973__ $$aEPFL$$sPUBLISHED$$rREVIEWED
000261899 981__ $$aoverwrite
000261899 980__ $$aARTICLE