Geng Junming, Lan Yanhua, Liu Shanshan, He Jiyu, Yang Rongjie, Li Dinghua
School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China.
School of Environment and Safety Engineering, North University of China, Taiyuan 030051, China.
Nanomaterials (Basel). 2022 Apr 22;12(9):1428. doi: 10.3390/nano12091428.
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.
基于分子动力学方法，建立了磷酸三（1-氯丙-2-基）酯（TCPP）/蒙脱石（MMT）分子模型，以研究TCPP与MMT之间的结合能和微观结构变化。理论模拟结果表明，TCPP能够进入MMT层间并增大层间距。据此，以阻燃剂TCPP为改性剂，通过非常简单的直接混合法制备了有机插层钙蒙脱石TCPP-CaMMT。采用TCPP、CaMMT和TCPP-CaMMT制备了聚丙烯（PP）复合材料。通过X射线衍射（XRD）、扫描电子显微镜（SEM）和透射电子显微镜（TEM）研究了TCPP-CaMMT纳米复合物和PP复合材料的微观结构。结果表明，TCPP-CaMMT纳米复合物在PP中可剥离成纳米片层。通过极限氧指数（LOI）测定和拉伸试验研究了PP/TCPP-CaMMT样品的阻燃性能和力学性能。PP/TCPP-CaMMT复合材料的LOI、拉伸强度和断裂伸长率均优于机械混合的PP/TCPP+CaMMT。
