Extensive theoretical study of corrosion inhibition efficiency of some pyrimidine derivatives on iron and the proposal of new inhibitor

Green Corrosion Inhibitors for Coatings

“…Mehmeti and Podvorica [47] performed Molecular Dynamic and Monte Carlo calculations to study the adsorption behaviour of carboxylated graphene oxide with reference to Nb, Ta, their oxides (NbO, TaO) surfaces. Shen and coworkers [48], Hajiahmadi and Tavangar [49] also performed theoretical studies on gum Arabic as corrosion inhibitor in oil industry and pyrimidine derivatives corrosion inhibition on iron, respectively.…”

Investigation of the anticorrosion and adsorption properties of two polymer compounds on the corrosion of SABIC iron in 1 M HCl solution by practical and computational approaches

“…Generally, organic compounds, especially those containing some hetero atoms in their structure are most commonly utilized as corrosion inhibitors for iron and steels in acidic media. [3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] The inhibition efficiency of these compounds relies on the concentration of the acidic solution, the nature of the metal or alloy used, the chemical composition of the additives and the capability to adsorb on the metal surface.…”

Studies on the Effect of Some Pyrimidine Derivatives on the Corrosion of Iron in 1M Hydrochloric Acid

“…Acid corrosion inhibitors are generally contains heteroatoms as sulphur, oxygen and nitrogen to achieve high inhibition efficiency [3,4]. There are several studies on the corrosion inhibition of iron and its alloys in acid media using organic inhibitors [5][6][7]. Pyrimidine is a heterocyclic aromatic organic compound similar to benzene and pyridine, containing two nitrogen atoms at positions 1 and 3 of the six-member ring [8].…”

“…Several investigations have been made on using pyrimidine derivatives as promising corrosion inhibitor candidates [6,11,12]. The inhibition achieved by pyrimidine derivatives have been explained on the basis of molecular adsorption by controlling anodic as well as cathodic sites of the iron surface [13].…”

“…Computational investigations conducted on corrosion inhibition of iron in acid media using pyrimidine derivatives used quantum chemical calculations [6] .Theoretical investigations shows the role of frontier molecular orbitals in understanding the inhibition mechanism [15] .The aim of this study is to expand the knowledge about three new pyrimidine derivatives candidates, namely, 6-amino-3,4-dihydropryimidin-2(1H)-thione (Pyr-3) , ethyl (R)-2-mercapto-4-methyl-6-phenyl-1,6dihydropyrimidine-5-carboxylate (Pyr-7) and ethyl (R)-6-(4-chlorophenyl)-2-mercapto-4-methyl-1,6dihydropyrimidine-5-carboxylate (Pyr-9) using , in addition to potentiodynamic polarization and electrochemical impedance spectroscopy , the new electrochemical frequency modulation technique, EFM. Also, the objective of this study is to Egyptian Journal of Chemistry http://ejchem.journals.ekb.eg/ ________________________________________________ Egypt.…”