Simulation Investigation on Flame Retardancy of the PVAc/ATP Nanocomposite

Table 1

Some important parameters for evaluating flame retardancy of the PVAc/ATP nanocomposite. The symbols E_bind, D_Mg, and FFV represent binding energies, Mg²⁺ diffusion coefficient, and fractional free volume, respectively.

Temperature (K)	300	350	400
Ebind (kcal·mol^−1)	4310.58	5844.75	4454.29
DMg (cm^2·s^−1)	6.33 × 10^−4	2.45 × 10^−4	2.71 × 10^−4
FFV (%)	36.96	35.71	35.81
Surface area (Å^2)	2177.31	2472.39	2589.31