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Updated: Sep 24, 2025

Author Spotlight: Exploring Self-Assembled MOF-Polymer Composites
Published on: June 14, 2024
Adsorption of amphiphilic grafted polymers as polymer corrosion inhibitors: insights from mesoscopic simulations
Javier Díaz1, Marko Soltau2, Martin Lísal3,4
1CECAM, Centre Européen de Calcul Atomique et Moléculaire, École Polytechnique Fédérale de Lausanne, Batochime - Avenue Forel 2, Lausanne, 1015, Switzerland. javierdiazbranas@gmail.com.
Abstract:
The homogeneous covering of amphiphillic polymer molecules onto metallic surfaces is of great importance for corrosion inhibitor applications. Lyophillic side chains grafted onto a lyophobic backbone act as anchors that allow the molecule to absorb at the metallic surface preventing the exposure with the solvent. Coarse-grained simulations are used to study the sorption and conformation behaviour of amphiphillic grafted polymers for corrosion inhibition. The backbone insolubility is found to play a key role in the sorption and conformation behaviour in the dilute limit. For finite concentrations, moderate backbone solubility and moderate molecule concentrations achieve optimal surface coverage, while highly a lyophobic backbone leads to bulk-like structures as a consequence of aggregation.
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