Self-assembled monolayer mechanism for corrosion inhibition of iron by imidazolines
- California Inst. of Technology, Pasadena, CA (United States)
- Chevron Petroleum Technology Company, La Habra, CA (United States)
Some of the most effective corrosion inhibitors for oil field pipeline applications are the oleic imidazoline (OI) class of molecules. However, the mechanism by which the OIs inhibit corrosion is not known. We report atomistic simulations (quantum mechanics and molecular dynamics) designed to elucidate this mechanism. These studies lead to the self-assembled monolayer (SAM) model for corrosion inhibition, which explains the differences in corrosion inhibition efficiency for various OI molecules. The SAM model of OI inhibitors involves the following critical elements: (i) strong bonding of the head group to Lewis acid sites on the iron oxide surface, (ii) self-assembly of the inhibitors on these surfaces to obtain a pattern controlled by the shape of the head group, (iii) self-organization of the tails to form a coherent hydrophobic film that serves as a barrier for migration of water, oxygen, and electrons to the metal surface, and (iv) optimal oil/water partitioning of the inhibitor molecules so that a monolayer can be formed on the surface with only ppm concentration in solution. 25 refs., 13 figs., 3 tabs.
- OSTI ID:
- 458634
- Journal Information:
- Langmuir, Journal Name: Langmuir Journal Issue: 26 Vol. 12; ISSN 0743-7463; ISSN LANGD5
- Country of Publication:
- United States
- Language:
- English
Similar Records
Molecular modeling of the inhibition of mild steel carbon dioxide corrosion by imidazolines
Molecular modeling of the inhibition of mild steel CO{sub 2} corrosion by imidazolines