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Title: Attraction between Opposing Planar Dipolar Polymer Brushes

Abstract

In this paper, we use a field theory approach to study the effects of permanent dipoles on interpenetration and free energy changes as a function of distance between two identical planar polymer brushes. Melts (i.e., solvent-free) and solvated brushes made up of polymers grafted on nonadsorbing substrates are studied. In particular, the weak coupling limit of the dipolar interactions is considered, which leads to concentration-dependent pairwise interactions, and the effects of orientational order are neglected. It is predicted that a gradual increase in the dipole moment of the polymer segments can lead to attractive interactions between the brushes at intermediate separation distances. Finally, because classical theory of polymer brushes based on the strong stretching limit (SSL) and the standard self-consistent field theory (SCFT) simulations using the Flory’s χ parameter always predicts repulsive interactions at all separations, our work highlights the importance of dipolar interactions in tailoring and accurately predicting forces between polar polymeric interfaces in contact with each other.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
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  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computational Sciences and Engineering Division. Center for Nanophase Materials Sciences
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); USDOE Laboratory Directed Research and Development (LDRD) Program
OSTI Identifier:
1376494
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Langmuir
Additional Journal Information:
Journal Volume: 33; Journal Issue: 36; Journal ID: ISSN 0743-7463
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Mahalik, J. P., Sumpter, Bobby G., and Kumar, Rajeev. Attraction between Opposing Planar Dipolar Polymer Brushes. United States: N. p., 2017. Web. doi:10.1021/acs.langmuir.7b01566.
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Mahalik, J. P., Sumpter, Bobby G., & Kumar, Rajeev. Attraction between Opposing Planar Dipolar Polymer Brushes. United States. https://doi.org/10.1021/acs.langmuir.7b01566
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Mahalik, J. P., Sumpter, Bobby G., and Kumar, Rajeev. Tue . "Attraction between Opposing Planar Dipolar Polymer Brushes". United States. https://doi.org/10.1021/acs.langmuir.7b01566. https://www.osti.gov/servlets/purl/1376494.
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@article{osti_1376494,
title = {Attraction between Opposing Planar Dipolar Polymer Brushes},
author = {Mahalik, J. P. and Sumpter, Bobby G. and Kumar, Rajeev},
abstractNote = {In this paper, we use a field theory approach to study the effects of permanent dipoles on interpenetration and free energy changes as a function of distance between two identical planar polymer brushes. Melts (i.e., solvent-free) and solvated brushes made up of polymers grafted on nonadsorbing substrates are studied. In particular, the weak coupling limit of the dipolar interactions is considered, which leads to concentration-dependent pairwise interactions, and the effects of orientational order are neglected. It is predicted that a gradual increase in the dipole moment of the polymer segments can lead to attractive interactions between the brushes at intermediate separation distances. Finally, because classical theory of polymer brushes based on the strong stretching limit (SSL) and the standard self-consistent field theory (SCFT) simulations using the Flory’s χ parameter always predicts repulsive interactions at all separations, our work highlights the importance of dipolar interactions in tailoring and accurately predicting forces between polar polymeric interfaces in contact with each other.},
doi = {10.1021/acs.langmuir.7b01566},
journal = {Langmuir},
number = 36,
volume = 33,
place = {United States},
year = {Tue Aug 01 00:00:00 EDT 2017},
month = {Tue Aug 01 00:00:00 EDT 2017}
}
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https://doi.org/10.1021/acs.langmuir.7b01566
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    Works referencing / citing this record:

    Understanding the effects of symmetric salt on the structure of a planar dipolar polymer brush
    journal, October 2018

    • Mahalik, Jyoti P.; Sumpter, Bobby G.; Kumar, Rajeev
    • The Journal of Chemical Physics, Vol. 149, Issue 16
    • DOI: 10.1063/1.5037077

    Enhanced scattering induced by electrostatic correlations in concentrated solutions of salt-free dipolar and ionic polymers
    journal, October 2018

    • Kumar, Rajeev; Lokitz, Bradley; Long, Timothy E.
    • The Journal of Chemical Physics, Vol. 149, Issue 16
    • DOI: 10.1063/1.5044637
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