Abstract
Two desirable characteristics of corrosion inhibitors is their high aqueous solubility and their low tendency to micellize. In this work, we propose that addition of a polar moiety to the terminal end of the alkyl tail of the quaternary ammonium-based corrosion inhibitors improves both these characteristics. Our molecular simulation results show that corrosion inhibitors with a hydroxyl group as the terminal group of alkyl tail results in three orders of magnitude increase in the aqueous solubility and also significantly decreases the micellization tendency. These results are significant for the purpose of designing more potent corrosion inhibitor molecules.
Subject
Water,
Modeling,
Metal surfaces,
Adsorption,
Micelles,
Solubility,
Beads,
Alkyls,
Free energy,
Force,
Interfaces,
Gold,
Corrosion inhibitors
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2020
Association for Materials Protection and Performance (AMPP)
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