Field-Theoretic Study of Salt-Induced Order and Disorder in a Polarizable Diblock Copolymer

Abstract

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.