Molecular modeling of the inhibition of mild steel CO{sub 2} corrosion by imidazolines

Conference · Wed Dec 30 23:00:00 EST 1998

OSTI ID:350190

Ramachandran, S; Jovancicevic, V ^[1]

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1. Baker Petrolite, Sugar Land, TX (United States)

Imidazolines have been used to inhibit corrosion in carbon dioxide solutions. Molecular modeling techniques have been used to study the adsorption and film formation of imidazolines onto iron oxide. The studies have determined (1) the binding of imidazoline and amide functional groups to an iron oxide surface, (2) the orientation of imidazoline molecules on the surface, and (3) the cohesive energy of formation of a bilayer of imidazoline molecules as a function of alkyl chain length. Molecular modeling techniques aid the development of improved corrosion inhibitors by quantifying the role of different functional groups in an inhibitor.

• OSTI ID: 350190
• Report Number(s): CONF-980316--
• Country of Publication: United States
• Language: English

Related Subjects

02 PETROLEUM
36 MATERIALS SCIENCE
CARBON DIOXIDE
CORROSION INHIBITORS
CORROSION PROTECTION
CORROSIVE EFFECTS
FIELD PRODUCTION EQUIPMENT
IMIDAZOLES
IRON OXIDES
MATHEMATICAL MODELS
PIPELINES
STEELS