Ability of the Poisson–Boltzmann equation to capture molecular dynamics predicted ion distribution around polyelectrolytes-Reference-Cited by-同舟云学术

Ability of the Poisson–Boltzmann equation to capture molecular dynamics predicted ion distribution around polyelectrolytes

Published:2017 Issue:36 Volume:19 Page:24583-24593
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Batys Piotr¹²³⁴⁵^ORCID,Luukkonen Sohvi¹²³⁴⁵^ORCID,Sammalkorpi Maria¹²³⁴⁵^ORCID

Affiliation:

1. Department of Chemistry and Materials Science

2. School of Chemical Engineering

3. Aalto University

4. FI-00076 Aalto

5. Finland

Abstract

Ion condensation around polyelectrolytes is examined computationally at all-atom and mean field detail levels to extract the practical limits of a PB model; the condensed ion layer thickness is found to depend solely on polyelectrolyte line charge density.

Funder

Suomen Akatemia

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP02547E

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2. Combination of coagulation–flocculation and nanofiltration techniques for dye removal and water reuse in textile effluents

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