Novel PVA/Methoxytrimethylsilane elastic composite membranes: preparation, characterization and DFT computation
- A modified composite membranes (PVA/SiOH/SiOC) were made via solution-casting process using different 1:1, 1:2, 1:3 and 1:4 volume ratios of polyvinyl alcohol (PVA):methoxytrimethylsilane (MTMS). Moreover, FT-infrared and energy-dispersive X-ray spectroscopy (EDX) were mesured to account for the network structural rearrangements involving silicon within PVA matrices. The addition of MTMS has improved the thermal and mechanical properties of the composite membranes as compared to pristine PVA. In addition, the crystallinity and the morphological changes of PVA/MTMS composites was studied using X-ray diffraction (XRD) and scanning electron microscope (SEM), respectively. Three structures were suggested based on trimethyl silanol (I) wet out condensation (II and III) with the dopped PVA followed by and H-bonding interactions (IV). The outcomes of B3LYP/6-31G(d) frequency calculations favors a three-dimensional SiOC linked network (III). Nevertheless, EDX reveals, the 3D SiOC links are notA modified composite membranes (PVA/SiOH/SiOC) were made via solution-casting process using different 1:1, 1:2, 1:3 and 1:4 volume ratios of polyvinyl alcohol (PVA):methoxytrimethylsilane (MTMS). Moreover, FT-infrared and energy-dispersive X-ray spectroscopy (EDX) were mesured to account for the network structural rearrangements involving silicon within PVA matrices. The addition of MTMS has improved the thermal and mechanical properties of the composite membranes as compared to pristine PVA. In addition, the crystallinity and the morphological changes of PVA/MTMS composites was studied using X-ray diffraction (XRD) and scanning electron microscope (SEM), respectively. Three structures were suggested based on trimethyl silanol (I) wet out condensation (II and III) with the dopped PVA followed by and H-bonding interactions (IV). The outcomes of B3LYP/6-31G(d) frequency calculations favors a three-dimensional SiOC linked network (III). Nevertheless, EDX reveals, the 3D SiOC links are not observed on the surface of composite membranes, however, is found dominant in the bulk, [(CH3)3SiOCH2CH2CH2O]n. Moreover, the solubility, density, and refractive index of the synthesized composites were measured and found depended on the ratio of PVA in the composite membranes. The current results are compared with that published earlier including dimethoxydimethylsilane at the same conditions.…
Autor*innen: | Alaa Fahmy, M. Abou-Saied, H. Helaly, F. El-Dessoki, T. Mohamed |
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Dokumenttyp: | Zeitschriftenartikel |
Veröffentlichungsform: | Verlagsliteratur |
Sprache: | Englisch |
Titel des übergeordneten Werkes (Englisch): | Journal of Molecular Structure |
Jahr der Erstveröffentlichung: | 2021 |
Organisationseinheit der BAM: | 6 Materialchemie |
6 Materialchemie / 6.6 Physik und chemische Analytik der Polymere | |
Verlag: | Elsevier B.V. |
Jahrgang/Band: | 1235 |
Erste Seite: | 130173 |
DDC-Klassifikation: | Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Ingenieurwissenschaften und zugeordnete Tätigkeiten |
Freie Schlagwörter: | DFT calculations; Elastic membrane; Methoxytrimethlsilane; Polymer composites; Polyvinyl alcohol |
Themenfelder/Aktivitätsfelder der BAM: | Material |
DOI: | 10.1016/j.molstruc.2021.130173 |
Verfügbarkeit des Dokuments: | Datei im Netzwerk der BAM verfügbar ("Closed Access") |
Datum der Freischaltung: | 24.03.2021 |
Referierte Publikation: | Ja |
Datum der Eintragung als referierte Publikation: | 31.05.2021 |