The metal corrosion threat in the metallurgical industry is becoming increasingly important. So in this work, the inhibition properties of 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-3-(pyridin-3-yl) propanenitrile for copper corrosion in 1 M nitric acid medium were evaluated by mass loss technique, density functional theory (DFT) and quantitative structure-property relationship (QSPR) model. The results show that this compound was excellent anticorrosive properties with a maximum inhibition efficiency of 89.39 % for a concentration of 0.2 mM at 323 K. The inhibition efficiency increases with increasing temperature and inhibitor concentration. Adsorption isotherms reported that the molecule adsorbs on copper surface according to Langmuir isotherm. Thermodynamic adsorption and activation parameters were determined and analyzed. They revealed spontaneous adsorption and a strong interaction between the molecule and copper surface. DFT calculations at the B3LYP level with 6-31G(d,p) and 6-311G(d,p) basis set permitted to explain the electronic exchanges between molecule and copper, thus justifying the experimentally obtained inhibition efficiency values. A local reactivity study of molecules indicated that N (29) and C (7) atoms are the likely sites for nucleophilic and electrophilic attacks, respectively. In addition, QSPR model was used to correlate experimental inhibition efficiency with the descriptor parameters of the studied molecule, and it is found that the calculated inhibition efficiencies are close to experimental inhibition efficiencies. Finally, this study showed a good correlation between theoretical and experimental data.
Légumineuse au rendement exceptionnel et aux grandes vertus nutritionnelles, le soja a été testé dans tous les microclimats ivoiriens depuis 1968. Il a même été cultivé à grande échelle dans le nord-ouest de la Côte d'Ivoire à titre expérimental. Contrairement à de nombreuses autres cultures vivrières, la culture du soja en Côte d'Ivoire n'a pas encore fait l'objet d'études historiques. Cet article contribue à combler cette lacune historiographique sur la base de sources imprimées et d'entretiens avec des témoins de la première phase (jusqu'en 1979), en mettant en lumière le processus d'introduction de la culture du soja en Côte d'Ivoire. Après les premiers essais de culture réussis depuis 1968, le soja a été introduit en 1974 comme culture de diversification. La poursuite des essais de confirmation a montré que les départements de Touba et d'Odienné, dans le nord-ouest de la Côte d'Ivoire, constituaient la zone la plus propice à la culture du soja. Un premier projet de soja y a été lancé en 1979, mais il a finalement échoué et a été abandonné en 1984.
Currently, research in the area of corrosion inhibition is focussed on the development of green corrosion inhibitors. It is with this in mind that pyridoxine hydrochloride, which is vitamin B6, has been tested as a corrosion inhibitor of aluminium in 1M HCl by mass loss, Density Functional Theory (DFT) and Quantitative Structure-Property Relationship (QSPR) methods. The results obtained show that the inhibition efficiency increases with concentration but decreases with increasing temperature. This vitamin is adsorbed on aluminium according to the modified Langmuir isotherm and occurs in two modes: physisorption and chemisorption. Thermodynamic adsorption and activation parameters have been determined and discussed. Finally, QSPR approach was used to find the best set of parameters in order to determine the theoretical inhibition efficiencies from the experimental data. Experimental measurements were found in good collaboration with the theoretical results.
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