molecular modeling of acidic treated pstm-3t polymer for removal of heavy metal ions by experimental and computational studies
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2014
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Abstract
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.
| Reference Key |
narantsogt2014internationalmolecular
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|---|---|
| Authors | ;Natsagdorj Narantsogt;Gunchin Burmaa;Adiya Perlee-Oidov;Nyamdorj Shurkhuu;Namsrai Javkhlantugs |
| Journal | 19th international congress of chemical and process engineering, chisa 2010 and 7th european congress of chemical engineering, ecce-7 |
| Year | 2014 |
| DOI |
10.1155/2014/260378
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