In the present investigation, corrosion inhibition potency of five pyridine derivatives was computationally simulated and investigated by utilizing Density Functional Theory (DFT) technique using a basis set B3LYP/6-31++G (d,p). The predicted capacity shown to improve in order 6-(trifluoromethyl) nicotinic acid > 4-(trifluoromethyl) N-methyl-4-chloropyridine-2-carboxamide 2-chloro-6-trifluor...

The use of corrosion inhibitors can effectively avoid the metals and alloys, but conventional organic/inorganic have certain toxic side effects environmental pollution problems (including some expensive reagents catalysts), prompting researchers to turn their attention research water-soluble polymer with green environment friendly low pollution. This paper reviews action mechanism inhibitors, s...

Gas phase and aqueous phase quantum chemical calculations for the inhibition efficiency of some substituted Benzothiazole (BTH) and its 2-methyl (MeBTH), 2-amino (ABTH), 2-mercapto (MBTH) and 2-phenyl (PhBTH) as corrosion inhibitors for brass in HClO4 were investigated by means of the AM1, PM6, MNDO and RM1 semi-empirical SCF molecular orbital methods. The calculated quantum chemical parameters...

Two PcSn(IV) dicarboxylate molecules were obtained through efficient microwave methodology with the aim to test them as corrosion inhibitors in the oil industry. The compounds were characterized by elemental analysis, IR, UV-vis, (1)H, (13)C NMR, and X-ray diffraction. The relative configuration of the two carboxylates is cis, placing the fatty acid moieties on the same face of the phthalocyani...

In the context of highly efficient, non-toxic and natural organic corrosion inhibitors, Phyllogorgia dilatata was studied as an anticorrosive for mild steel in acid medium. The marine octocoral crude extract (PDCE) was characterized and analyzed by LC-HRMS, revealing the presence of 16 different organic molecules. The corrosion inhibition was evaluated via weight loss study and electrochemical ...

Corrosion simply refers to destructive and unintentional attack on metals. It is extractive metallurgy in reverse. That is, it serves to return metals back to their ores.1 Corrosion has been recognized as a phenomenon that has existed for as long as mankind. It has devastated several plants in the industrial age, bringing into focus the need to study and understand it. Since then, mankind has c...

Corrosion prevention has been one of the major concerns these days various methods have adopted for corrosion prevention. However, use inhibitors proven to be easiest and cheapest method But then most conventional are expensive toxic. Therefore recent focus turned developing non-toxic cheap inhibitors. To achieve that a Polyacrylic acid was successfully grafted on chitosan by thermal using refl...

A theoretical study for three derivatives of pyrazine namely 2-methylpyrazine (MP), 2aminopyrazine (AP) and 2-amino-5-bromopyrazine (ABP), which are recently used as corrosion inhibitors for steel in 1.0 M H2SO4 medium, was undertaken by Density Functional Theory (DFT) at the B3LYP level. Their properties are most relevant to their potential action as corrosion inhibitor and have been calculate...