Understanding the effects of symmetric salt on the structure of a planar dipolar polymer brush

Jyoti P. Mahalik, Bobby G. Sumpter, Rajeev Kumar

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

The effects of added salt on a planar dipolar polymer brush immersed in a polar solvent are studied using a field theoretic approach. The field theory developed in this work provides a unified framework for capturing effects of the inhomogeneous dielectric function, translational entropy of ions, crowding due to finite sized ions, ionic size asymmetry, and ion solvation. In this paper, we use the theory to study the effects of ion sizes, their concentration, and ion-solvation on the polymer segment density profiles of a dipolar brush immersed in a solution containing symmetric salt ions. The interplay of crowding effects, translational entropy, and ion solvation is shown to exhibit either an increase or decrease in the brush height. Translational entropy and crowding effects due to finite sizes of the ions tend to cause expansion of the brush as well as uniform distribution of the ions. By contrast, ion-solvation effects, which tend to be stronger for smaller ions, are shown to cause shrinkage of the brush and inhomogeneous distribution of the ions.

Original languageEnglish
Article number163334
JournalJournal of Chemical Physics
Volume149
Issue number16
DOIs
StatePublished - Oct 28 2018

Funding

This work was supported by Laboratory Directed Research and Development. The research was conducted at the Center for Nanophase Materials Sciences, which is a U.S. Department of Energy Office of Science User Facility. This research also used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725.

FundersFunder number
U.S. Department of Energy
Office of Science
Oak Ridge National Laboratory
Laboratory Directed Research and Development

    Fingerprint

    Dive into the research topics of 'Understanding the effects of symmetric salt on the structure of a planar dipolar polymer brush'. Together they form a unique fingerprint.

    Cite this