Simulation and performance analysis of low dielectric isosorbide polyimide
摘要
To enhance the performance of polyimides, novel polyimides (P1, P2, P3) were synthesized through the reaction of isophthalic dianhydride with a series of furan-based diamines. The structures and properties of these polyimides (P1, P2, P3) were analyzed through molecular dynamics and quantum chemical simulation methods, including glass transition temperature, dielectric properties, free volume, and cohesive energy density. Compared with traditional polyimides, the results showed that P1, P2, and P3 exhibited a significant increase in glass transition temperature and cohesive energy density, while their dielectric properties decreased compared to traditional PI (3.4–3.6), all falling within the range of (2.5-3.0). The free volume also decreased. However, there was no significant impact on the materials’ radial distribution functions at the atomic level.