Inhibition of corrosion with organic compounds in the water and salt and acid medium. The aspect of izomerism and the interclass aspect of the inhibition process

In this paper, the process of adsorption of phenol derivatives, polyaminopolycarboxylic acids (PFPA) and tertiary amine salt, modeled on semi-empirical ZINDO/1, on iron (available in different grades of steel in the amount of 90-97%) is presented. The structures of the phenol derivatives for the study were chosen without complicating the structure, and the isomers of the position of the substituents were chosen. The structures of polyaminopolycarboxylic acids for the study were chosen according to the structure complication. In the course of the study, the following compositions were obtained and analyzed: compositions of the complexes obtained, global and local electrophilicity values, a graph showing the dependence of the charge density on the iron atom on the protective effect. For the first time, the interclass aspect of corrosion protection will be considered, where the generality of the investigated quantum-chemical approach for different classes of organic inhibitors, which are also found in different corrosive environments, will be proved.