Predicting protection capacities of pyrimidine-based corrosion inhibitors for mild steel/HCl interface using linear and nonlinear QSPR models.

Pyrimidine compounds have proven to be effective and efficient additives capable of protecting mild steel in acidic media. This class of organic compounds often functions as adsorption-type inhibitors of corrosion by forming a protective layer on the metallic substrate. The present study reports a computational study of forty pyrimidine compounds that have been investigated as sustainable inhibitors of mild steel corrosion in molar HCl solution.

Formamidine-Based Thiuram Disulfides as Efficient Inhibitors of Acid Corrosion of Mild Steel: Electrochemical, Surface, and Density Functional Theory/Monte Carlo Simulation Studies.

Electrochemical, surface, and density functional theory (DFT)/Monte Carlo (MC) simulation studies were used in investigating the characteristics of ,'-(disulfanne-1,2-dicarbonothioyl)bis(,'-bis(2,6-dimethylphenyl)formimidamide) (), ,'-(disulfanne-1,2-dicarbonothioyl)bis(,'-bis(2,6-diisopropylphenyl)formimidamide) (), ,'-(disulfanne-1,2-dicarbonothioyl)bis(,'-dimesitylformimidamide) (), and ,'-(disulfanne-1,2-dicarbonothioyl)bis(,'-bis(2,6-dichlorophenyl)formimidamide) () as inhibitors of acid corrosion of mild steel. The inhibitors were found to effectively reduce the rates of steel dissolution at the anode as well as cathodic hydrogen evolution. The order of inhibition efficiencies of studied compounds is (PDP/LPR/EIS: 98.

Chromeno-carbonitriles as corrosion inhibitors for mild steel in acidic solution: electrochemical, surface and computational studies.

Three novel -hydrospiro-chromeno-carbonitriles namely, 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile (INH-1), 3-amino-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-2-carbonitrile (INH-2) and 3'-amino-7',7'-dimethyl-2,5'-dioxo-5',6',7',8'-tetrahydro-2-spiro[acenaphthylene-1,4'-chromene]-2'-carbonitrile (INH-3) were synthesized using the principles of green chemistry and applied as corrosion inhibitors for mild steel in acidic medium using computational simulations and experimental methods. Experimental and computational studies revealed that inhibition effectiveness of the INHs followed the sequence: INH-3 (95.32%) > INH-2 (93.

Synthesis and structures of divalent Co, Ni, Zn and Cd complexes of mixed dichalcogen and dipnictogen ligands with corrosion inhibition properties: experimental and computational studies.

The structural and corrosion inhibition properties of four different transition-metal complexes of heteroleptic S-donor atom dithiophosphonate and N-donor atom phenanthroline ligands are reported. Full structural characterization of the Co, Ni, Zn and Cd complexes was achieved with the aid of single-crystal X-ray crystallography. Structural elucidation revealed the formation of a 4-coordinate Zn(ii) complex, and 6-coordinate Ni(ii) and Cd(ii), as well as a novel dithiophosphonato Co(ii) complex.

Zinc Oxide Nanocomposites of Selected Polymers: Synthesis, Characterization, and Corrosion Inhibition Studies on Mild Steel in HCl Solution.

Nanocomposites of ZnO and some selected polymers, namely, poly(ethylene glycol), poly(vinylpyrrolidone), and polyacrylonitrile, were synthesized and characterized using Fourier transform infrared (FTIR) spectroscopy, ultraviolet-visible (UV-vis) spectroscopy, thermogravimetric analysis (TGA), and transmission electron microscopy (TEM) techniques. The FTIR and UV-vis spectra confirmed the successful formation of the polymer nanocomposites. TGA results revealed that the synthesized polymer nanocomposites are more thermally stable than the polymers alone.