Molecular modeling techniques have been used to study the adsorption and film formation of N-containing corrosion inhibitors on hematite (Fe2O3) and magnetite (Fe3O4) surfaces. In oilfield applications as temperature and carbon dioxide partial pressure vary, different corrosion products are formed on mild steel. FeCO3 is the predominant corrosion product at conditions of high partial pressures of carbon dioxide. In this work, molecular modeling techniques will be used to study the adsorption and film formation of N-containing corrosion inhibitors onto iron carbonate.
Keywords: molecular simulation, molecular modeling, molecular mechanics, carbon dioxide, oleic imidazoline, corrosion inhibition, iron carbonate