Molecular Dynamics Simulation of Phase Structure and Properties of PET / PAR Alloy Composites

This study investigates the phase structure and properties of polyethylene terephthalate (PET) and inherently flame‐retardant polyarylate (PAR) alloy composites via molecular dynamics simulations and experimental characterization. The compatibility analysis shows favorable interactions at PET/PAR mass ratios of 80:20, 70:30, and 60:40. The composite with a 70:30 ratio exhibits optimal overall mechanical properties, achieving a tensile strength of 54.80 MPa, elongation at break of 41.81%, and impact strength of 56.50 kJ/m 2 . The incorporation of PAR significantly enhances thermal stability and flame retardancy. The limiting oxygen index increases up to 28.3% with a UL‐94 V‐0 rating, while cone calorimetry confirms substantial reductions in peak heat release rate and total smoke release. These results demonstrate that PET/PAR blending provides an effective strategy for developing high‐performance, flame‐retardant polymeric materials.