Please use this identifier to cite or link to this item:
https://doi.org/10.1021/jp312404k
DC Field | Value | |
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dc.title | Ionic liquid membranes supported by hydrophobic and hydrophilic metal-organic frameworks for CO2 capture | |
dc.contributor.author | Gupta, K.M. | |
dc.contributor.author | Chen, Y. | |
dc.contributor.author | Jiang, J. | |
dc.date.accessioned | 2014-10-09T06:52:10Z | |
dc.date.available | 2014-10-09T06:52:10Z | |
dc.date.issued | 2013-03-21 | |
dc.identifier.citation | Gupta, K.M., Chen, Y., Jiang, J. (2013-03-21). Ionic liquid membranes supported by hydrophobic and hydrophilic metal-organic frameworks for CO2 capture. Journal of Physical Chemistry C 117 (11) : 5792-5799. ScholarBank@NUS Repository. https://doi.org/10.1021/jp312404k | |
dc.identifier.issn | 19327447 | |
dc.identifier.uri | http://scholarbank.nus.edu.sg/handle/10635/89298 | |
dc.description.abstract | Atomistic simulation is performed to investigate CO2 capture in ionic liquid (IL) membranes supported on metal-organic frameworks (MOFs). The IL considered is 1-n-butyl-3-methylimidazolium thiocyanate [BMIM][SCN], while hydrophobic ZIF-71 and hydrophilic Na-rho-ZMOF with the same topology and similar pore size are used as supports. The [SCN]- anion prefers to locate near the metal cluster of ZIF-71 and the Na+ ion of Na-rho-ZMOF, in contrast to the bulky and chainlike [BMIM]+ cation that resides in the open cage. In both membranes, the [SCN]- interacts more strongly than the [BMIM]+ with the MOF supports. With regard to CO2 capture from CO2/N2 mixture, CO2 adsorption is greater than N2, while CO2 diffusion is slower in both membranes, particularly in [BMIM][SCN]/ZMOF because the Na+ ions in Na-rho-ZMOF act as strong binding sites for CO 2. The permselectivity of CO2 over N2 is governed by adsorption selectivity, as diffusion selectivity remains a constant over the pressure range examined. Compared to many polymer membranes and polymer-supported ILs, [BMIM][SCN]/ZMOF exhibits higher permeability and permselectivity, and also surpasses the Robeson's upper bound. On the basis of the two MOF-supported [BMIM][SCN] membranes examined for CO2 capture, the simulation study suggests that hydrophilic support is superior to the hydrophobic counterpart. © 2013 American Chemical Society. | |
dc.description.uri | http://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1021/jp312404k | |
dc.source | Scopus | |
dc.type | Article | |
dc.contributor.department | CHEMICAL & BIOMOLECULAR ENGINEERING | |
dc.description.doi | 10.1021/jp312404k | |
dc.description.sourcetitle | Journal of Physical Chemistry C | |
dc.description.volume | 117 | |
dc.description.issue | 11 | |
dc.description.page | 5792-5799 | |
dc.identifier.isiut | 000316773000033 | |
Appears in Collections: | Staff Publications |
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