Please use this identifier to cite or link to this item:
|Title:||Ionic liquid membranes supported by hydrophobic and hydrophilic metal-organic frameworks for CO2 capture|
|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|
|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.|
|Source Title:||Journal of Physical Chemistry C|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Jul 9, 2018
WEB OF SCIENCETM
checked on Jun 20, 2018
checked on Jun 29, 2018
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.