In this paper, an organic/inorganic phosphorus and silicon-containing coating was prepared by the sol–gel method and its flame retardant mechanism for poly(ethylene terephthalate) (PET) fabrics was thoroughly investigated. The influence of hybrid coating on PET fabric was investigated by the limited oxygen index (LOI), vertical flammability test (VFT) and microscale combustion calorimetry (MCC). The results revealed that the LOI of the coated PET fabric was up to 29.2% and no dripping was observed in the VFT. MCC results showed that hybrid coating reduced the peak heat release rate, heat release capacity and total heat release of PET fabric. Thermogravimetric analysis demonstrated increased thermal stability and char residue of PET fabrics due to the hybrid coating. Furthermore, the char residues were studied by X-ray photoelectron spectroscopy and scanning electron microscopy. The above results proved that the synergistic effect between the 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide group and the silicon network played a key role in the flame retardancy of PET fabrics. In addition, the durability of coated PET fabrics was interpreted by calculating the interaction energy through molecular dynamics simulation.

在本文中，通过溶胶-凝胶法制备了一种有机/无机含磷和硅涂层，并深入研究了其对聚对苯二甲酸乙二醇酯 (PET) 织物的阻燃机制。通过极限氧指数（LOI）、垂直可燃性试验（VFT）和微量燃烧量热法（MCC）研究了混合涂层对PET织物的影响。结果表明，涂​​层PET织物的LOI高达29.2%，在VFT中没有观察到滴落现象。MCC 结果表明，混合涂层降低了 PET 织物的峰值放热速率、放热能力和总放热。热重分析表明，由于混合涂层，PET 织物的热稳定性和炭残留增加。此外，通过 X 射线光电子能谱和扫描电子显微镜研究炭残留物。以上结果证明9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide基团与硅网络之间的协同作用对PET织物的阻燃性起到了关键作用。此外，通过分子动力学模拟计算相互作用能来解释涂层 PET 织物的耐用性。