4.7 Article

Structure, chain dynamics and mechanical properties of poly(vinyl alcohol)/phytic acid composites

Journal

COMPOSITES COMMUNICATIONS
Volume 28, Issue -, Pages -

Publisher

ELSEVIER SCI LTD
DOI: 10.1016/j.coco.2021.100970

Keywords

Poly(vinyl alcohol); Phytic acid; Chain dynamics; Mechanical property

Funding

  1. Australian Research Council (ARC) Discovery Project [DP190102992, FT190100188, IC170100032]
  2. Zhejiang Provincial Natural Science Foundation of China [LY19A020006, LY18E050025]
  3. Ningbo Natural Science Foundation of China [2018A610100]

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The research found that the structure, chain dynamics, and mechanical properties of PVA/PhyAc composite are influenced by the content of PhyAc. When the PhyAc content reaches 1.9 wt%, the PVA composite shows lower free volume and smaller diffusion coefficient, while the glass transition temperature (T-g) of PVA reaches the maximum at around 1.25 wt% of PhyAc. Additionally, adding 10 wt% PhyAc gives PVA the highest tensile strength and good antibacterial capability.
The global micro- and nano-plastic issue has greatly triggered the development of advanced biodegradable polymeric materials. The creation of biodegradable polyvinyl alcohol (PVA)/phytic acid (PhyAc) composite represents a sustainable solution. However, it remains unclear how PhyAc molecules affect intermolecular hydrogen-bonding (H-bonding), structure, chain dynamics and mechanical properties of PVA so far. Herein, we explore structure, chain dynamics and mechanical properties of PVA/PhyAc composite by combining molecular dynamics simulation and experimental. The number of PVA-PhyAc H-bonds per PhyAc molecule and that of total H-bonds show different PhyAc content dependence. The PVA composite with 1.9 wt% of PhyAc shows a lower free volume and a smaller diffusion coefficient. Meanwhile, the glass transition temperature (T-g) of PVA reaches the maximum value at ca. 1.25 wt% of PhyAc. Interestingly, 10 wt% PhyAc endows PVA with the highest tensile strength in addition to a good antibacterial capability. This work reveals how small molecules affect structure and mechanical properties of polymers and contributes to expanding practical applications of PVA/PhyAc in industry.

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