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Molecular modeling of the inhibition of mild steel carbon dioxide corrosion by imidazolines

Journal Article · · Corrosion
DOI:https://doi.org/10.5006/1.3283986· OSTI ID:349899
;  [1]
  1. Baker Petrolite, Sugar Land, TX (United States)

Imidazolines have been used to inhibit corrosion in carbon dioxide (CO{sub 2}) solutions. Molecular modeling techniques were used to study adsorption and film formation of imidazolines onto iron oxide. studies determined the binding of imidazoline and amide functional groups to an iron oxide surface, the orientation of imidazoline molecules on the surface, and the cohesive energy of formation of a bilayer of imidazoline molecules as a function of alkyl chain length. Molecular modeling techniques should aid the development of improved corrosion inhibitors by quantifying the role of different functional groups in an inhibitor.

Sponsoring Organization:
USDOE
OSTI ID:
349899
Journal Information:
Corrosion, Journal Name: Corrosion Journal Issue: 3 Vol. 55; ISSN 0010-9312; ISSN CORRAK
Country of Publication:
United States
Language:
English