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

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.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1474514
Alternate Identifier(s):
OSTI ID: 1465614
Grant/Contract Number:  
[AC05-00OR22725]
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
[ Journal Volume: 149; Journal Issue: 16]; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Mahalik, Jyoti P., Sumpter, Bobby G., and Kumar, Rajeev. Understanding the effects of symmetric salt on the structure of a planar dipolar polymer brush. United States: N. p., 2018. Web. doi:10.1063/1.5037077.
Mahalik, Jyoti P., Sumpter, Bobby G., & Kumar, Rajeev. Understanding the effects of symmetric salt on the structure of a planar dipolar polymer brush. United States. doi:10.1063/1.5037077.
Mahalik, Jyoti P., Sumpter, Bobby G., and Kumar, Rajeev. Tue . "Understanding the effects of symmetric salt on the structure of a planar dipolar polymer brush". United States. doi:10.1063/1.5037077. https://www.osti.gov/servlets/purl/1474514.
@article{osti_1474514,
title = {Understanding the effects of symmetric salt on the structure of a planar dipolar polymer brush},
author = {Mahalik, Jyoti P. and Sumpter, Bobby G. and Kumar, Rajeev},
abstractNote = {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.},
doi = {10.1063/1.5037077},
journal = {Journal of Chemical Physics},
number = [16],
volume = [149],
place = {United States},
year = {2018},
month = {8}
}

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