Simulation Investigation on Flame Retardancy of the PVAc/ATP Nanocomposite

Figure 1

Configurations for the interaction of PVAc with the ATP (100) surface. (a) Initial building configuration; (b), (c), and (d) equilibrium configurations obtained at a temperature of 300, 350, and 400 K, respectively. Here, the oxygen atoms which escaped from ATP to PVAc are shown in blue.

(a)

(b)

(c)

(d)