The use of computational chemistry as a tool in the design and development of organic
corrosion inhibitors has been greatly enhanced by the development of density functional …

Corrosion is a subject of interest to interdisciplinary research communities, combining fields
of materials science, chemistry, physics, metallurgy and chemical engineering. In order to …

One of the factors that limit the use of synthetic organic compounds as corrosion inhibitors is
the series of trials associated with traditional syntheses that have to be carried out in the …

Molecular modeling of corrosion inhibitors has gained momentum in the last decade. This
paper describes various approaches, starting with the so-called MEPTIC (Molecular …

Abstract The inhibition performance of 2-(2′-hydroxylphenyl) benzothiazole,(1), 2-(2′, 5′-
dihydroxyphenyl) benzothiazole,(2), and (4-benzothiazole-2-yl-phenyl)-dimethyl-amine,(3) …

Pipelines play a significant role in production and transportation of oil and gas. The use of
film-former corrosion inhibitors is one of the most economical and reliable methods of …

Quantum chemical methods are particularly significant in the study of electrochemistry and
provide researchers with a relatively quick way of studying the structure and behaviour of …

The inhibition effects of 2-amino-5-mercapto-1, 3, 4-thiadiazole (2A5MT) and 2-
mercaptothiazoline (2MT) on mild steel corrosion in 1.0 MH 2 SO 4 were studied with …

The applicability of the HSAB based electron charge transfer parameter, ΔN, is analyzed for
molecular and atomic adsorbates on metal surfaces by means of explicit DFT calculations …

The adsorption and corrosion inhibition of Osmanthus fragran leaves extract (OFLE) on C-
steel in hydrochloric acid was investigated by potentiodynamic polarisation, electrochemical …