MOLECULAR STRUCTURE, CORROSION INHIBITION AND MOLECULAR DYNAMICS SIMULATION OF MORPHOLINE CORROSION INHIBITORS

Abstract

Abstract: Three kinds of morpholine derivatives MLPP, MLMBT and MLMB were synthesized and characterized by FT-IR and 1H NMR. The corrosion inhibition effects of three synthesized inhibitors and one commercial inhibitor on carbon steel were evaluated in simulated oils with the same acid value containing naphthenic acid, fatty acid, aromatic acid and mixed acids. The results show that MLMBT and MLMB have excellent corrosion inhibition properties to 20 steel test pieces in all simulated oils with 1% corrosion inhibitor at 190 °C, and MLMBT can effectively inhibit the synergistic corrosive effect of fatty acid and naphthenic acid. Molecular dynamics simulations show that there are strong interactions between three inhibitor molecules and iron surface. The addition of thiadiazole and benzotriazole can strengthen the adsorption effect. The adsorption energies calculated by molecular dynamic simulation（MD) verify that the increasing order of corrosion inhibitors performance is dodecylamine, MLPP, MLMB and MLMBT.

Key words: fatty acid, aromatic acid, naphthenic acid, corrosion inhibitor, molecular dynamics simulation

References

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