Morpholine, antipyrine, and pyrroline derivatives as inhibitors of sulfide corrosion of mild steel: PM3 study

摘要

Data on efficiencies of morpholine derivatives (MD) against sulphide corrosion of mild steel published earlier by Gorilenko and Beloglazov [1] have been compared with the results of PM3 computations performed with the use of Gaussian software [2]. The results given and discussed below make evident a mixed type of inhibitive action of MD. In the case of corrosion, mechanism of electron donation by MD represented by HOMO prevails upon electron accepting action of MD represented by LUMO.