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231224s2011 xx |||||o 00| ||eng c |
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|a 10.1021/la203374a
|2 doi
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|a eng
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|a Remy, Tom
|e verfasserin
|4 aut
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|a Modeling the effect of structural changes during dynamic separation processes on MOFs
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|c 2011
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Completed 16.02.2012
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|a Date Revised 25.10.2011
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a A model able to describe the effect of structural changes in the adsorbent or adsorbed phase during the dynamic (breakthrough) separation of mixtures on metal-organic frameworks (MOFs) is presented. The methodology is exemplified for a few pertinent case studies: the separation of xylene isomers and ethylbenzene on the flexible MOF MIL-53 and the rigid MOF MIL-47. At low pressures, no preferential adsorption of any component occurs on both MOFs. Contrarily, at higher pressures separation of ethylbenzene (EB) from o-xylene (oX) occurs on MIL-53 as a result of the breathing phenomenon within the MIL-53 structure. The increase in selectivity, starting from the gate-opening pressure, could be modeled by using a pressure-dependent saturation capacity for the most strongly adsorbed component oX. In the separation of m-xylene (mX) from p-xylene (pX) on the rigid MOF MIL-47, separation at higher pressures is a result of preferential stacking of pX. Here, the selectivity increases once the adsorption of pX switches from a single to a double file adsorption. By implementing a loading dependent adsorption constant for pX, the different unconventional breakthrough profiles and the observed selectivity profile on MIL-47 can be simulated. A similar methodology was used for the separation of EB from pX on MIL-47, where the separation is a result from steric constraints imposed onto the adsorption of EB
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|a Journal Article
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1 |
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|a Baron, Gino V
|e verfasserin
|4 aut
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1 |
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|a Denayer, Joeri F M
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 27(2011), 21 vom: 01. Nov., Seite 13064-71
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|x 1520-5827
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| 773 |
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|g volume:27
|g year:2011
|g number:21
|g day:01
|g month:11
|g pages:13064-71
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|u http://dx.doi.org/10.1021/la203374a
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