Charge correlations in multicomponent ionic crystalline membranes
ORAL
Abstract
We investigate the dissociation state of a polyelectrolyte membrane with charged head groups in solution. This state depends on the salt concentration and pH of the solution, but spatial correlations also highly influence it. Spatial correlations are typically neglected in these systems, as they are difficult to treat analytically, but they can qualitatively alter the results. We numerically incorporate charge correlations on both flat and curved membranes by simulating a multicomponent system on a fluctuating network with electrostatic interactions, using the replica exchange Monte Carlo approach. The salt-induced screening effects are modeled within the Debye-Huckel theory. For weak enough screening, we find a strong suppression of dissociation regardless of pH, and the membrane may exhibit a reentrant structural phase transition as pH is varied.
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Authors
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Creighton Thomas
Northwestern University
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Monica Olvera de la Cruz
Northwestern University, Department of Materials Science and Engineering, Northwestern University, Department of Materials Science, Northwestern University, Department of Chemistry and Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA