During the last years, green composites have been used as alternative compounds widely used thermoplastic such as Polyvinyl chloride (PVC) products. This semi-empirical study aims to investigate efficient biofiller prepared from waste chicken eggshell (ES), and zinc oxide (ZnO) to be used in Polyvinyl chloride (PVC) matrix for produce safe products. Prepared composite samples were characterized by X-ray pattern, and IR spectroscopy. Thermal properties of these composites were also examined with the help of Thermogravimetric Analysis (TGA/DTG) and the Differential Scanning Calorimetry (DSC) analysis. The FTIR spectra of samples confirmed structures of the ZnO and CaCO3 in eggshell powder. In addition, X-ray diffraction analysis of samples confirmed the formation of a hexagonal wurtzite structure in ZnO, and calcite form in the chicken eggshell (ES). Thermal results showed that addition of 5wt.% EZn biofiller could significantly improve thermal stability of the composites. The presence of 5wt.% of inorganic biofiller enhanced the rapidest decomposition temperature and the maximum decomposition rate by 5.6 and 1.5%, respectively. At high temperature, a compact char formed on the surface of the composites, obstructing the thermal degradation of the polymer matrix. In addition, studied samples were modeled by theoretical calculations based on the DFT/B3LYP/LanL2DZ method to gain more information aboat overall properties, mechanism, and intermolecular interactions from examined composites. Interesting comparable results and good consistency were found between experimental and the calculated results.
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•A strategy to design hybrid inorganic structure with an inexpensive and effective natural material for thermal stability of UPVC products.
•Preparation of an eggshell-ZnO as a metal-inorganic frameworks for HCl Capture during thermal degradation of PVC pruducts.
•Comparison of the experimental results with DFT calculations reveals an expectedly relationship between experimental analysis and theoretical parameter from structure details of the metal-inorganic frameworks in PVC matrix.
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Khaleghi, M. Experimental and computational study of thermal behavior of PVC composites based on modified eggshell biofiller for UPVC product. J Polym Res 29, 2 (2022). https://doi.org/10.1007/s10965-021-02858-7