Tetrahydropyrimido-Triazepine derivatives as anti-corrosion additives for acid corrosion: Chemical, electrochemical, surface and theoretical studies

Evaluation of inhibitive corrosion potential of symmetrical hydrazine derivatives containing nitrophenyl moiety in 1M HCl for C38 steel: experimental and theoretical studies

“…This result indicates lower adsorption of SSBH+ on the iron surface than SSBs in 1M HCl. The results obtained were supported by other calculations discussed below based on the pair atomic distribution function (PADF), mean square displacement (MSD) and free volume fraction (FVF) [33,41,45].…”

“…Besides, the strength of the interfacial interactions has generally been evaluated based on the adsorption energy (Eads) or binding energy (Ebinding) and desorption energy (dEads/dNinh). Binding energy is defined as the opposite of adsorption energy as follows ( 22) [33]:…”

“…If the contrary, there are weak connections (i.e. physical bonds) [33]. Figure 19 shows the variation of PADF versus the bond lengths (r) such as Fe-N3, Fe-N4, Fe-O5, and Fe-O8 for SSBs and SSBH+.…”

Imidazo [1,2-a] Pyrimidine Derivatives as Effective Inhibitor of Mild Steel Corrosion in HCl Solution: Experimental and Theoretical Studies

“…Molecular dynamic (MD) simulation is usually used to study the interaction and adsorption between corrosion inhibitors and metal surfaces. This method can better understand the molecular interaction mechanism of corrosion inhibitors (El Faydy et al, 2019;Laabaissi et al, 2019;Benhiba et al, 2020). In this work, the adsorption processes of DPIP and OPIP on mild steel surfaces were investigated by Materials Studio eight software.…”

Studies on the Effect of Some Pyrimidine Derivatives on the Corrosion of Iron in 1M Hydrochloric Acid

“…Impurities on the electrode surface, electrode surface roughness and inhomogeneity, and inhibitor adsorption on the electrode surface all contribute to the imperfection in the semi-circular capacitive arc [25]. The diameter of the Nyquist plots for the inhibited solutions was clearly greater than the blank solution, and this diameter increased with increasing inhibitor concentration, peaking at 10 -3 M. It ensures that the corrosion is mediated by the pyrimidine derivatives (Pyrs) molecules adsorbing on the iron surface, forming a protective layer against the electrolyte corrosive species and thereby increasing the iron resistance to electrochemical corrosion [25,26]. Pyrimidine derivatives molecules adsorbed on the iron surface through the formation of a coordinate covalent bond between the iron surface and the heteroatoms of pyrimidine derivatives molecules, forming a metal/pyrimidine derivatives complex film on the iron surface that effectively blocks acid attack.…”