Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Equilibrium properties of 3-arm star-shaped polyions: an entropic sampling Monte Carlo study
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
Number of Authors: 4
2017 (English)In: Nanosystems: Physics, Chemistry, Mathematics, ISSN 2220-8054, Vol. 8, no 1, 108-120 p.Article in journal (Refereed) Published
Abstract [en]

The entropic sampling Monte Carlo method within Wang-Landau algorithm is applied to investigate properties of a lattice model of strongly charged flexible 3-arm star-shaped polyelectrolyte. The density of states is calculated, from which the canonical properties of the system in a wide temperature range are obtained by simple integration. The effects of the arm length and the short-range monomer-monomer potential on the thermal and structural properties of star polyions are studied. We calculate such characteristics as mean square radius of gyration and its components, the radius vector of the center of mass, components of the tensor of inertia and parameters characterizing the shape of the polyion. In this work, we focus on how these characteristics are influenced by the change of the reduced temperature which, within the considered model, is a parameter combining the effect of real temperature, linear charge density and solvent dielectric permittivity. The coil-globule transition is observed in most of the considered cases, and for the polyions with the longest length of arms ( 24), the transition from a liquid globule to a solid-like state is observed. Comparison of polyelectrolyte models with neutral ones is given.

Place, publisher, year, edition, pages
2017. Vol. 8, no 1, 108-120 p.
Keyword [en]
star-shaped polymer, polyelectrolytes, lattice model, entropic sampling, Monte Carlo method, phase transition, solvent quality
National Category
Nano Technology
Identifiers
URN: urn:nbn:se:su:diva-142548DOI: 10.17586/2220-8054-2017-8-1-108-120ISI: 000397241100016OAI: oai:DiVA.org:su-142548DiVA: diva2:1093301
Available from: 2017-05-05 Created: 2017-05-05 Last updated: 2017-05-05Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Lyubartsev, Alexander P.
By organisation
Department of Materials and Environmental Chemistry (MMK)
Nano Technology

Search outside of DiVA

GoogleGoogle Scholar

Altmetric score

Total: 8 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf