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Molecular Modeling of Acidic Treated PSTM-3T Polymer for Removal of Heavy Metal Ions by Experimental and Computational Studies
Joint Authors
Narantsogt, Natsagdorj
Burmaa, Gunchin
Perlee-Oidov, Adiya
Shurkhuu, Nyamdorj
Javkhlantugs, Namsrai
Source
International Journal of Polymer Science
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-6, 6 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-05-25
Country of Publication
Egypt
No. of Pages
6
Main Subjects
Abstract EN
The synthesized poly[N,N′-bis(3-silsesquioxanilpropyl)-thiocarbamide] (PSTM-3T) was used and the surface morphology and microstructure of it were analyzed by scanning electron microscopy with energy dispersive spectrometer (SEM/EDS).
The molecular structure change of the PSTM-3T polymer of the PSTM-3T after treatment by acidic solution with different pHs was revealed using FT-IR experiments and ab initio calculations with density functional theory method.
The sorption efficiency of the heavy metal ions depends on the molecular structure change of PSTM-3T after treatment of different pH aqueous solutions.
After the treatment of acidic solution (pH = 2) of PSTM-3T, the polymer formed the tautomer state to increase the sorption efficiency for chromate ion.
For the increment of pH value for acidic solution, the PSTM-3T polymer was dissociated to increase the sorption efficiency for copper ion.
American Psychological Association (APA)
Narantsogt, Natsagdorj& Burmaa, Gunchin& Perlee-Oidov, Adiya& Shurkhuu, Nyamdorj& Javkhlantugs, Namsrai. 2014. Molecular Modeling of Acidic Treated PSTM-3T Polymer for Removal of Heavy Metal Ions by Experimental and Computational Studies. International Journal of Polymer Science،Vol. 2014, no. 2014, pp.1-6.
https://search.emarefa.net/detail/BIM-1037506
Modern Language Association (MLA)
Narantsogt, Natsagdorj…[et al.]. Molecular Modeling of Acidic Treated PSTM-3T Polymer for Removal of Heavy Metal Ions by Experimental and Computational Studies. International Journal of Polymer Science No. 2014 (2014), pp.1-6.
https://search.emarefa.net/detail/BIM-1037506
American Medical Association (AMA)
Narantsogt, Natsagdorj& Burmaa, Gunchin& Perlee-Oidov, Adiya& Shurkhuu, Nyamdorj& Javkhlantugs, Namsrai. Molecular Modeling of Acidic Treated PSTM-3T Polymer for Removal of Heavy Metal Ions by Experimental and Computational Studies. International Journal of Polymer Science. 2014. Vol. 2014, no. 2014, pp.1-6.
https://search.emarefa.net/detail/BIM-1037506
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1037506