Modeling Surface Engineering: Use of Polymetallic Iron Cages and Computer Graphics To Understand the Mode of Action of a Corrosion Inhibitor.

Simple organic molecules can have many functions. The active ingredient in the corrosion inhibitor 3-(4-methylbenzoyl)propionate works because it addresses the metal sites of a surface through carboxylate groups, forms hydrogen bonds with surface hydroxide groups (see picture), and provides excellent surface coverage through efficient packing of substituted aromatic groups.