Please use this identifier to cite or link to this item: https://doi.org/10.1038/srep12821
DC FieldValue
dc.titleGlucose recovery from aqueous solutions by adsorption in metal-organic framework MIL-101: A molecular simulation study
dc.contributor.authorGupta, K.M
dc.contributor.authorZhang, K
dc.contributor.authorJiang, J
dc.date.accessioned2020-09-10T01:53:19Z
dc.date.available2020-09-10T01:53:19Z
dc.date.issued2015
dc.identifier.citationGupta, K.M, Zhang, K, Jiang, J (2015). Glucose recovery from aqueous solutions by adsorption in metal-organic framework MIL-101: A molecular simulation study. Scientific Reports 5 : 12821. ScholarBank@NUS Repository. https://doi.org/10.1038/srep12821
dc.identifier.issn20452322
dc.identifier.urihttps://scholarbank.nus.edu.sg/handle/10635/175495
dc.description.abstractA molecular simulation study is reported on glucose recovery from aqueous solutions by adsorption in metal-organic framework MIL-101. The F atom of MIL-101 is identified to be the most favorable adsorption site. Among three MIL-101-X (X = H, NH<inf>2</inf> or CH<inf>3</inf>), the parent MIL-101 exhibits the highest adsorption capacity and recovery efficacy. Upon functionalization by -NH 2 or -CH 3 group, the steric hindrance in MIL-101 increases; consequently, the interactions between glucose and framework become less attractive, thus reducing the capacity and mobility of glucose. The presence of ionic liquid, 1-ethyl-3-methyl-imidazolium acetate, as an impurity reduces the strength of hydrogen-bonding between glucose and MIL-101, and leads to lower capacity and mobility. Upon adding anti-solvent (ethanol or acetone), a similar adverse effect is observed. The simulation study provides useful structural and dynamic properties of glucose in MIL-101, and it suggests that MIL-101 might be a potential candidate for glucose recovery.
dc.publisherNature Publishing Group
dc.sourceUnpaywall 20200831
dc.typeArticle
dc.contributor.departmentCHEMICAL & BIOMOLECULAR ENGINEERING
dc.description.doi10.1038/srep12821
dc.description.sourcetitleScientific Reports
dc.description.volume5
dc.description.page12821
Appears in Collections:Staff Publications
Elements

Show simple item record
Files in This Item:
File Description SizeFormatAccess SettingsVersion 
10_1038_srep12821.pdf1.55 MBAdobe PDF

OPEN

NoneView/Download

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.