Abstract
One of the most important applications of graphene is in the field of polymer nanocomposites, where graphene is introduced as filler with the aim to improve their chemical and physical properties. Such as polystyrene (PS), PMMA, PVA, polypropylene (PP), epoxy, polyester, silicon foams, polyurethanes (PU) and polycarbonates (PC), graphene-based nanomaterials have been utilized in a myriad of bioapplications (e.g., drugs and gene delivery, nanomedicine, bioimaging and potential cancer therapies). The graphene, Polyurethane (PU), calcium carbonate (CC) and absorption of CC in graphene/PU composite, respectively were studied using theoretical calculations like Gibbs free energy, log P, Fourier Transform Infrared (FTIR) and electrostatic potential. FTIR spectroscopy reveals information about the molecular interactions of chemical components and is useful for characterization of composite. Nucleophilic and electrophilic regions were calculated using the electrostatic potential. It was determined that the hydrophilic (log P, octanol–water distribution constant) values play an important role in the absorption process of CC.
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