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- Polymer composites (2)
- Polyvinyl alcohol (2)
- DFT calculations (1)
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- Methoxytrimethlsilane (1)
Organisationseinheit der BAM
A novel mixed matrix composite has been prepared using solution-casting method at different volume concentrations of polyvinyl alcohol; PVA (50, 67, 75 and 80 %) and fixed amount of Dimethoxydimethylsilane in air atmosphere. The hydrolyzed dimethyldisilanol acts as in-situ cross linker through a wet-out condensation between the hydroxyl moieties of SiOH and PVAOH. Such process improves the mechanical properties of composite membranes as compared to pristine PVA which has been determined as function of varied membrane components to evaluate the structure/property relationships.
Furthermore, DFT (B3LYP)/6-31G(d) geometry and frequency computations were carried out for the suggested dimeric PVA structures via 1,3-diol linkage followed by condensation and hydrogen bonding interaction. Vibrational interpretations of composite membranes were proposed based on the computed wavenumbers, Cartesian coordinates displacements for the suggested hydrolyzed products involving the dominant PVA/SiOH/SiOC/SiOSi functional groups compared with those given in literatures. FTIR and EDX provide clear evidences for incorporating silicon to 3D network. Meanwhile, the infrared de-convoluted spectral interpretations ensure 17-30% cross-linked SiOC within the network of Composite membranes.
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 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.