Next Article in Journal
Replication of Mesoscale Pore One-dimensional Nanostructures: Surface-induced Phase Separation of Polystyrene/Poly(vinyl alcohol) (PS/PVA) Blends
Next Article in Special Issue
Marine Bacterial Exopolymers-Mediated Green Synthesis of Noble Metal Nanoparticles with Antimicrobial Properties
Previous Article in Journal
Fabrication of Graphene-Metal Transparent Conductive Nanocomposite Layers for Photoluminescence Enhancement
Previous Article in Special Issue
Receptor-mediated Uptake of Folic Acid-functionalized Dextran Nanoparticles for Applications in Photodynamic Therapy
Open AccessArticle

Hydrodynamic Properties of Polymers Screening the Electrokinetic Flow: Insights from a Computational Study

1
Department of Energy and Power Engineering, Huazhong University of Science and Technology, Wuhan 430074, China
2
China-EU Institute of Clean and Renewable Energy, Huazhong University of Science and Technology, Wuhan 430074, China
3
State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190, China
4
Department of Complex Systems, Institute of Physical Chemistry, PAS, 01-224 Warsaw, Poland
*
Author to whom correspondence should be addressed.
Polymers 2019, 11(6), 1038; https://doi.org/10.3390/polym11061038
Received: 11 March 2019 / Revised: 28 May 2019 / Accepted: 29 May 2019 / Published: 11 June 2019
(This article belongs to the Special Issue Polymeric Nanoparticles for Drug Delivery and Diagnostics)
Understanding the hydrodynamic properties of polymeric coatings is crucial for the rational design of molecular transport involving polymeric surfaces and is relevant to drug delivery, sieving, molecular separations, etc. It has been found that the hydrodynamic radius of a polymer segment is an order of magnitude smaller than its physical size, but the origin of this effect does not seem to be well understood. Herein, we study the hydrodynamic properties of polymeric coatings by using molecular dynamics simulations, navigated by the continuous Navier-Stokes-Brinkman model. We confirm that the averaged hydrodynamic radius of a polymer bead is about one order of magnitude smaller than its physical radius, and, in addition, we show that it exhibits a strong dependence on the degree of polymerization. We relate this variation of the hydrodynamic radius to the structural properties and hydrodynamic shielding by surrounding polymer beads. This is done by separating the effects originating from near and far beads. For the near beads, shielding is mainly due to the two nearest beads (of the same polymer) and leads to about a 5-fold reduction in the hydrodynamic radius. Assuming the additivity of the hydrodynamic shielding by far beads, we suggest a simple model, which captures correctly the qualitative behaviour of the hydrodynamic radius with the degree of polymerization. The revealed shielding effects provide important insights relevant to the advanced modelling of hydrodynamic properties of polymeric coatings. View Full-Text
Keywords: polymeric coatings; Stokes radius; hydrodynamic shielding; molecular dynamics simulations; Navier-Stokes-Brinkman model polymeric coatings; Stokes radius; hydrodynamic shielding; molecular dynamics simulations; Navier-Stokes-Brinkman model
Show Figures

Graphical abstract

MDPI and ACS Style

Wu, P.; Sun, T.; Jiang, X.; Kondrat, S. Hydrodynamic Properties of Polymers Screening the Electrokinetic Flow: Insights from a Computational Study. Polymers 2019, 11, 1038.

Show more citation formats Show less citations formats
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Back to TopTop