Abstract

Based on the molecular dynamics method, the tris-(1-chloropropan-2yl) phosphate (TCPP)/montmorillonite (MMT) molecular model was established to study the binding energy and microstructure changes in TCPP and MMT. The theoretical simulation results showed that TCPP can enter the MMT layer and increase the layer spacing. From this, an organic intercalated Ca-montmorillonite TCPP-CaMMT was prepared by a very simple direct mixing method using flame retardant TCPP as a modifier. Polypropylene (PP) composites were prepared by TCPP, CaMMT, and TCPP-CaMMT. The microstructures of TCPP-CaMMT nanocompounds and PP composites were studied by X-ray diffraction (XRD), scanning electron microscope (SEM), and transmission electron microscope (TEM). The results showed that TCPP-CaMMT nanocompounds could be exfoliated into nanosheets in PP. The flame retardancy and mechanical properties of PP/TCPP-CaMMT samples were studied by limited oxygen index (LOI) measurements and tensile tests. The PP/TCPP-CaMMT composites showed better LOI, tensile strength, and elongation at break than the machine-mixed PP/TCPP + CaMMT.

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