作者: Benjamin Hosemann , Marco Drache , Sabine Beuermann
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摘要: In order to control the branching behavior of polymers, comparison experimental and simulated data is important. The utilization a nonlattice, self-avoiding necklace-bead random walk simulator reported, which allows for calculation radii gyration r g polymer molecules with branched structures. focus on sensitivity toward short-chain branches, long-chain branches (LCBs), copolymer composition. Using only two parameters—the size monomer beads minimum angle between three subsequent beads—a fast reliable parameter fit procedure based described. exemplarily shown copolymers vinylidene fluoride hexafluoropropene (HFP) HFP contents in at most 0.3 easily transferable other polymers that may be analyzed by size-exclusion chromatography/multiangle laser light scattering close θ conditions. Applying Zimm–Stockmayer equation comparing “effective” number LCBs given kinetic simulations. A tool better estimation rate coefficients associated formation short- provided.