Impacting Repeating Unit Sequence on Intrinsic and Surface Properties of Bipolymer

Various arrangements of repeating units endow copolymers with specific intrinsic structures, properties and functions. In the case of a representative fluorinated copolymer, Teflon AF1600, we first build up the intrinsic structure-activity correlations of isotactic repeating unit sequence with conformation, porosity, surface, and dielectric properties of the resulting copolymer through extensive molecular dynamics simulations. The results exhibited that, the alternating triune AF1600 polymer possess superior compactness (porosity: 36.55%) and surface hydrophobicity (water binding energy: -102.8607882 cal⋅mol -1 ∙Å -2 ), as well as dielectric stability. It may offer the best option of repeating unit sequence to meet practical performance requirements on ideal Teflon resin, and useful reference criteria for on-demand development and production of other multipolymers.