Monte Carlo simulations of polyion-macroion complexes. 1. Equal absolute polyion and macroion charges

摘要: Intermolecular structures of complexes formed between a charged polymer and spherical oppositely macroion have been studied by employing the primitive model solved Monte Carlo simulations. The strong-complex case involving polyion with equal absolute charges without small ions was considered. influence flexibility bare persistence length ranging from 7 to 1000 Angstrom for four different systems characterized linear charge densities sizes has examined. Radial distributions, bead complexation probabilities, loop, tail, train characteristics, energetic analysis performed. strongest most compact complex, collapsed wrapping macroion, semiflexible chain. As stiffness increased, this state transformed into range comprising "tennis ball seam"-like, solenoid, multiloop ("rosette"), single-loop arrangements as well only single polyion-macroion contact region. (Less)