Field-Theoretic Study of Salt-Induced Order and Disorder in a Polarizable Diblock Copolymer.
Journal
ACS macro letters
ISSN: 2161-1653
Titre abrégé: ACS Macro Lett
Pays: United States
ID NLM: 101574672
Informations de publication
Date de publication:
20 Aug 2019
20 Aug 2019
Historique:
entrez:
27
5
2022
pubmed:
20
8
2019
medline:
20
8
2019
Statut:
ppublish
Résumé
We study a salt-doped polarizable symmetric diblock copolymer using a recently developed field theory that self-consistently embeds dielectric response, ion solvation energies, and van der Waals (vdW) attractions via the incorporation of segment polarizabilities and fixed dipoles. This field theory is amenable to direct simulation via the complex Langevin sampling technique and, thus, requires no approximations beyond the phenomenology of the underlying molecular model. We measure the shift in the order-disorder transition (ODT) of a diblock copolymer with salt-loading in field-theoretic simulations and observe rich behavior in which solvation, dilution and charge screening effects compete to determine whether the ordered or disordered phase is stabilized. At low salt concentrations, the salt behaves as a selective solvent, localizing into the high-dielectric domains and stabilizing the ordered phase. At high salt concentrations, however, the salt localization vanishes due to charge screening effects, and the salt behaves as a nonselective solvent that screens vdW attractions and stabilizes the disordered phase.
Identifiants
pubmed: 35619489
doi: 10.1021/acsmacrolett.9b00316
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM