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Title: Attraction between Opposing Planar Dipolar Polymer Brushes

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

Mahalik, J. P., Sumpter, Bobby G., and Kumar, Rajeev. Attraction between Opposing Planar Dipolar Polymer Brushes. United States: N. p., Web. doi:10.1021/acs.langmuir.7b01566.
Mahalik, J. P., Sumpter, Bobby G., & Kumar, Rajeev. Attraction between Opposing Planar Dipolar Polymer Brushes. United States. doi:10.1021/acs.langmuir.7b01566.
Mahalik, J. P., Sumpter, Bobby G., and Kumar, Rajeev. 2017. "Attraction between Opposing Planar Dipolar Polymer Brushes". United States. doi:10.1021/acs.langmuir.7b01566. https://www.osti.gov/servlets/purl/1376494.
@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 = {2017},
month = {8}
}