Abstract
Coconut Shell Nanoparticles (CSNPs) are reinforced with Nylon 6 to investigate the mechanical properties of the nanocomposite. MD Simulations were performed using DREIDING force field and uniaxial deformation was carried out to predict the tensile properties of polymer and its nanocomposites with different wt% of CSNPs. Density and temperature profiles of the materials were analysed and compared with experiment to justify the parameters used in simulation. Nanocomposites were also prepared experimentally via solvent casting to confirm the simulated data. The samples were subjected to tensile tests which revealed a similar trend as recorded from the simulations. Scanning Electron Microscopy images confirmed the dispersion of nanoparticles in the polymer matrix, and chemical composition of nylon and its nanocomposite was confirmed by Fourier Transform Infrared spectroscopy. Thermal stability of nanocomposites was asserted from Thermogravimetric analysis and Dynamic Mechanical Analysis provided information on glass transition temperature and change in storage modulus with temperature, which confirmed the simulation results.
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