Branched-linear polyion complexes investigated by Monte Carlo simulations
(2014) In Soft Matter 10(32). p.6047-6058- Abstract
- Complexes formed by one charged and branched copolymer with an oppositely charged and linear polyion have been investigated by Monte Carlo simulations. A coarse-grained description has been used, in which the main chain of the branched polyion and the linear polyion possess the same absolute charge and charge density. The spatial extension and other structural properties, such as bond-angle orientational correlation function, asphericity, and scaling analysis of formed complexes, at varying branching density and side-chain length of the branched polyion, have been explored. In particular, the balance between cohesive Coulomb attraction and side-chain repulsions resulted in two main structures of a polyion complex. These structures are (i)... (More)
- Complexes formed by one charged and branched copolymer with an oppositely charged and linear polyion have been investigated by Monte Carlo simulations. A coarse-grained description has been used, in which the main chain of the branched polyion and the linear polyion possess the same absolute charge and charge density. The spatial extension and other structural properties, such as bond-angle orientational correlation function, asphericity, and scaling analysis of formed complexes, at varying branching density and side-chain length of the branched polyion, have been explored. In particular, the balance between cohesive Coulomb attraction and side-chain repulsions resulted in two main structures of a polyion complex. These structures are (i) a globular polyion core surrounded by side chains appearing at low branching density and (ii) an extended polyion core with side chains still being expelled at high branching density. The globule-to-extended transition occurred at a crossover branching density being practically independent of the side chain length. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/4659418
- author
- Angelescu, Daniel G. and Linse, Per LU
- organization
- publishing date
- 2014
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Soft Matter
- volume
- 10
- issue
- 32
- pages
- 6047 - 6058
- publisher
- Royal Society of Chemistry
- external identifiers
-
- wos:000340474400019
- scopus:84905031804
- pmid:24999910
- ISSN
- 1744-6848
- DOI
- 10.1039/c4sm01055h
- language
- English
- LU publication?
- yes
- id
- 560584f6-48fd-4ca1-8149-1aa835f01f16 (old id 4659418)
- date added to LUP
- 2016-04-01 13:31:51
- date last changed
- 2022-02-04 07:57:43
@article{560584f6-48fd-4ca1-8149-1aa835f01f16,
abstract = {{Complexes formed by one charged and branched copolymer with an oppositely charged and linear polyion have been investigated by Monte Carlo simulations. A coarse-grained description has been used, in which the main chain of the branched polyion and the linear polyion possess the same absolute charge and charge density. The spatial extension and other structural properties, such as bond-angle orientational correlation function, asphericity, and scaling analysis of formed complexes, at varying branching density and side-chain length of the branched polyion, have been explored. In particular, the balance between cohesive Coulomb attraction and side-chain repulsions resulted in two main structures of a polyion complex. These structures are (i) a globular polyion core surrounded by side chains appearing at low branching density and (ii) an extended polyion core with side chains still being expelled at high branching density. The globule-to-extended transition occurred at a crossover branching density being practically independent of the side chain length.}},
author = {{Angelescu, Daniel G. and Linse, Per}},
issn = {{1744-6848}},
language = {{eng}},
number = {{32}},
pages = {{6047--6058}},
publisher = {{Royal Society of Chemistry}},
series = {{Soft Matter}},
title = {{Branched-linear polyion complexes investigated by Monte Carlo simulations}},
url = {{http://dx.doi.org/10.1039/c4sm01055h}},
doi = {{10.1039/c4sm01055h}},
volume = {{10}},
year = {{2014}},
}