Nanoparticle size and surface chemistry effects on mechanical and physical properties of nano-reinforced polymers: The case of PVDF-Fe3O4 nano-composites

In the present work, PVDF - Fe3O4 nanoparticle (NP) nanocomposite films were produced using electrospinning method. We investigated effect of NP size on film's morphology (fiber size), mechanical properties, and physical properties (β-phase percentage). Surprisingly, while acts as an enhancer for it appeared to act inhibitor in terms its effects crystallization β-polymorph. This result seemed discordance with many previous results. A focus local interactions between surface chemistry chains revealed influence grafted ligands at piezoelectric phase PVDF. The results from molecular dynamics (MD) simulations systems slabs –OH oleic acid-grafted magnetite, showed that probability beta configuration decreases when nanoparticles are functionalized acid becomes more probable terminated magnetite. These computational accordance our experimental To verify this hypothesis, we prepared washed eliminate excess a β-polymorph inhibitor. As result, amount β-phase obtained increased difference different samples decreased. Moreover, heated, developed smaller sizes nanoparticles. At 140 °C, isomerization occurred, was converted into elaidic acid, reducing steric hindrance, promoting interaction reaction seems be α- transition. Our prove optimizing multiple nano-reinforced polymers requires consideration aspects, such size, chemistry, processing methods. based mixed modeling approach proved usefulness simulation understanding guiding suggest enhancing magnetite nano-composites, combined could lead multi-properties enhancement simultaneously.