Elucidating the Role of Interfacial Hydrogen Bonds on Glass Transition Temperature Change in a Poly(Vinyl Alcohol)/SiO 2 Polymer‐Nanocomposite by Noncovalent Interaction Characterization and Atomistic Molecular Dynamics Simulations
| Autor: | Ritwik Panigrahi, Praveen Thoniyot, Souvik Chakraborty, Freda C. H. Lim, Jun Ye, Melissa Prawirasatya, Shuyun Chng, Joachim Khin Hun Yam, Alexander M. van Herk, Linda Yongling Wu, Geraldine S. Lim |
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| Rok vydání: | 2020 |
| Předmět: |
chemistry.chemical_classification
Vinyl alcohol Materials science Polymers and Plastics Polymer nanocomposite Hydrogen bond Organic Chemistry 02 engineering and technology Polymer Dynamic mechanical analysis 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences chemistry.chemical_compound chemistry Chemical engineering Materials Chemistry Fourier transform infrared spectroscopy 0210 nano-technology Glass transition Fumed silica |
| Zdroj: | Macromolecular Rapid Communications. 41:2000240 |
| ISSN: | 1521-3927 1022-1336 |
| Popis: | A thorough experimental investigation of polymer-glass transition temperature (Tg ) is performed on poly(vinyl alcohol) (PVA) and fumed silica nanoparticle (SiNP) composite. This is done together with atomistic molecular dynamics simulations of PVA systems in contact with bare and fully hydroxylated silica. Experimentally, PVA-SiNP composites are prepared by simple solution casting from aqueous solutions followed by its characterization using Fourier-transform infrared spectroscopy (FTIR), dynamic mechanical analysis (DMA), and dynamic scanning calorimetry (DSC). Both theoretical and experimentally deduced Tg are correlated with the presence of hydrogen bonding interactions involving OH functionality present on the surface of SiNP and along PVA polymer backbone. Further deconvolution of FTIR data show that inter-molecular hydrogen bonding present between PVA and SiNP surface is directly responsible for the increase in Tg . SiNP filler and PVA matrix ratio is also optimized for a desired Tg increase. An optimal loading of SiNP exists, in order to yield the maximum Tg increase arising from the competition between hydrogen bonding and crowding effect of SiNP. |
| Databáze: | OpenAIRE |
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