No abstract

A new epoxy monomer, namely, tetraglycidyl-1,2-aminobenzamide (ER), was synthesized by condensation of the amines with epichlorohydrin in a basic medium.

The corrosion inhibition performance of Hexa (3-methoxy propan-1,2 diol) cyclotriphosphazene (HMC) on carbon steel in 3% NaCl solution was investigated by weight loss (WL), potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS) measurements, Density functional theory (DFT) and Monte Carlo (MC) simulation. The corrosion inhibition efficiency at optimum concentration (10−3M) is 99% of HMC at 298 K. The corrosion inhibition efficiency at 10−3 M decreases with increase in temperature. The adsorption of HMC on the surface of carbon steel obeyed Langmuir isotherm. Potentiodynamic polarization study confirmed that inhibitor anodic-type. DFT and Monte Carlo (MC) simulations based computational approaches were under taken to support the experimental findings. DFT studies revealed that HMC interact with metallic surface through donor-acceptor interactions in which the anionic parts act as electron donor (HOMO) and cationic parts behaved as electron acceptor (LUMO). The MC simulations study showed that studied HMC adsorb spontaneously on Fe (110) surface.

A possible equation between experimental inhibition efficiencies (IE exp ) of corrosion inhibitors and some quantum parameters was sought for some tiazole derivatives in 1 M HCl. Highest occupied molecular energy level (E HOMO ), lowest unoccupied molecular energy level (E LUMO ), dipole moment (μ), adsorption energy (E ads ), energy gap ΔE, surface area (SA) of molecule, Log of the partition coefficient (AlogP) were correlated to corrosion inhibition efficiency. The results showed that a good agreement was found between IE exp and calculated inhibition efficiencies (IE calc ) where the correlation coefficients (R 2 and R) between IE exp and IE calc were ranged from 0.857 to 0.967 and 0.926 and 0.974, respectively.