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Due to the fact that metal corrosion annually in the world in industries such as extraction and processing of oil and gas, food and pharmaceutical creates much damage in connection with the repair and replacement parts, finding a method for preventing or reducing corrosion can play an important role in reduce the cost of it. In recent years, Schiff bases have been considered by researchers as corrosion inhibitors. Ease of preparation and being economical are the biggest advantages of using them. Experimental design was used to optimize the effective parameters on inhibitory performance. The results showed that the Schiff base had a good inhibitory effect on the 310 steel surface and according to the curves of surface and contour, concentrations of 2.5×10-3 M, 12-hour immersion time and 65 °C were obtained as optimal conditions of inhibition. Performing a weight loss test in optimum conditions obtained from the experimental design, the inhibition efficiency of 91.17% was acheived. In order to investigate the effect of molecular structure on the inhibition mechanism and the inhibitory effect of the compound, the quantum computation by DFT method was performed using the approximation of B3LYP and the base set (d, p) 6-311+G and the quasi-experimental methods AM1 and PM6. Using methods such as SEM and quantum computing is a step in confirming the results of the weight loss method and improving the reliability of the research.

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