A comprehensive study of mild steel corrosion in the aggressive acidic environment using CMPPC, a substituted pyrazole derivative

Computational modelling and correlation of physical parameters of 1-heptatriacotanol, phytol and 3, 7, 11, 15-tetra methyl-2-hexadecen-1-ol with the corrosion inhibition efficiency of CIW for mild steel in HCl

“…The reduction in the corrosion rate is believed to be owing to the replacement of water molecules from the metallic surface by the active constituents of CIW present in the extract (Figure 8). Among these three adsorption isotherms verified the slope and regression coefficient approaches unity for the Temkin model and the adsorption of the phytochemicals of CIW obeys the equation, The higher K ads value at room temperature indicates the firm attachment of the active constituents of CIW to the metal surface [39]. But on increasing the temperature degradation or decomposition occurs on the metallic surface, causing weakening of the adsorption characteristics of the inhibitor resulting in a decrease of equilibrium adsorption constant.…”

“…The higher dipole moment value of 1-heptatriacotanol helps for its adsorption through increased dipole–dipole interactions. Since the mild steel surface under acidic conditions is considered as a soft species, it has a better binding ability with soft species owing to the soft–soft interactions [33,39]. A higher electron affinity value of 1-heptatriacotanol makes it a better inhibitor on mild steel surfaces by accepting electron pairs from the metal surface [40].…”

The co-adsorption of thymohydroquinone dimethyl ether (THQ) and coumarin present in the aqueous extract of Ayapana triplinervis on mild steel and its protection in hydrochloric acid up to 323 K: computational and physicochemical studies

“…Since corrosion is an electrochemical process, whose rate is dependent on how fast the mass and charge are transferred between the electrode and the electrolyte, the adsorption of AYW blocks the easy transfer of both mass and charge better than AYA, leading to the best corrosion inhibition. [31][32][33][34][35]…”

“…The presence of THQ alone or its synergistic interaction with the other minor components, mainly coumarins, makes the extract a more efficient corrosion inhibitor for mild steel corrosion. The active components THQ and coumarin present in AYW are separated by a distance of 2.22235 Å on the metal surface aer adsorption 12,27,28,34,[41][42][43][44][45] (Fig. 8).…”

Investigation of Corrosion Inhibition of Mild Steel in 0.5 M H2SO4 with Lachancea fermentati Inhibitor Extracted from Rotten Grapefruits (Vitis vinifera): Adsorption, Thermodynamic, Electrochemical, and Quantum Chemical Studies

“…A(7) where E a denotes activation energy, A denotes frequency factor, R denotes gas constant, T denotes reaction temperature, N A represents the Avogadro's number, ΔH denotes changes in enthalpy, and ΔS denotes changes in entropy at activation states.The spontaneity of the adsorption process was confirmed with standard free energy of adsorption (ΔG ads ) values deduced from the Langmuir adsorption isotherm equation [(…”