Monte Carlo simulations of polyion-macroion complexes. 1. Equal absolute polyion and macroion charges
(2002) In Macromolecules 35(13). p.5183-5193- Abstract
- Intermolecular structures of complexes formed between a charged polymer and a spherical and oppositely charged macroion have been studied by employing the primitive model solved by Monte Carlo simulations. The strong-complex case involving a polyion and a macroion with equal absolute charges and without small ions was considered. The influence of the polyion flexibility with a bare persistence length ranging from 7 to 1000 Angstrom for four different systems characterized by different polyion linear charge densities and macroion sizes has been examined. Radial distributions, polyion bead complexation probabilities, loop, tail, and train characteristics, and energetic analysis have been performed. The strongest and most compact complex,... (More)
- Intermolecular structures of complexes formed between a charged polymer and a spherical and oppositely charged macroion have been studied by employing the primitive model solved by Monte Carlo simulations. The strong-complex case involving a polyion and a macroion with equal absolute charges and without small ions was considered. The influence of the polyion flexibility with a bare persistence length ranging from 7 to 1000 Angstrom for four different systems characterized by different polyion linear charge densities and macroion sizes has been examined. Radial distributions, polyion bead complexation probabilities, loop, tail, and train characteristics, and energetic analysis have been performed. The strongest and most compact complex, involving a collapsed polyion wrapping the macroion, was formed for a semiflexible chain. As the stiffness was increased, this state was transformed into a range of different structures comprising "tennis ball seam"-like, solenoid, multiloop ("rosette"), and single-loop arrangements as well as structures involving only a single polyion-macroion contact region. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/335476
- author
- Akinchina, Anna LU and Linse, Per LU
- organization
- publishing date
- 2002
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Macromolecules
- volume
- 35
- issue
- 13
- pages
- 5183 - 5193
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- wos:000176215500045
- scopus:0037130004
- ISSN
- 0024-9297
- DOI
- 10.1021/ma012052u
- language
- English
- LU publication?
- yes
- id
- e13a4108-56d8-4a73-8f63-3d2997a3aa85 (old id 335476)
- date added to LUP
- 2016-04-01 12:11:34
- date last changed
- 2022-04-05 19:00:51
@article{e13a4108-56d8-4a73-8f63-3d2997a3aa85, abstract = {{Intermolecular structures of complexes formed between a charged polymer and a spherical and oppositely charged macroion have been studied by employing the primitive model solved by Monte Carlo simulations. The strong-complex case involving a polyion and a macroion with equal absolute charges and without small ions was considered. The influence of the polyion flexibility with a bare persistence length ranging from 7 to 1000 Angstrom for four different systems characterized by different polyion linear charge densities and macroion sizes has been examined. Radial distributions, polyion bead complexation probabilities, loop, tail, and train characteristics, and energetic analysis have been performed. The strongest and most compact complex, involving a collapsed polyion wrapping the macroion, was formed for a semiflexible chain. As the stiffness was increased, this state was transformed into a range of different structures comprising "tennis ball seam"-like, solenoid, multiloop ("rosette"), and single-loop arrangements as well as structures involving only a single polyion-macroion contact region.}}, author = {{Akinchina, Anna and Linse, Per}}, issn = {{0024-9297}}, language = {{eng}}, number = {{13}}, pages = {{5183--5193}}, publisher = {{The American Chemical Society (ACS)}}, series = {{Macromolecules}}, title = {{Monte Carlo simulations of polyion-macroion complexes. 1. Equal absolute polyion and macroion charges}}, url = {{http://dx.doi.org/10.1021/ma012052u}}, doi = {{10.1021/ma012052u}}, volume = {{35}}, year = {{2002}}, }