Computational and electrochemical investigation for corrosion inhibition of nickel in molar sulfuric acid by dihydrazide derivatives. Part II

Add time:08/02/2019    Source:sciencedirect.com

Correlation of the efficiency of some dihydrazide derivatives, namely malonic acid (MAD), succinic acid (SAD) and adipic acid (AAD) dihydrazide, against the corrosion of nickel in 1 M sulfuric acid solution is discussed using electrochemical polarization method and quantum chemical calculations based on the ab initio method. The quantum chemical parameters calculated are, the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), the gap energy (ΔE), the dipole moment (μ), the softness (σ) and the total energy (TE). The relations between the inhibition efficiency and some quantum parameters are discussed and correlations are proposed. The protection efficiencies of these compounds showed a certain relationship to Mulliken atomic charges and Fukui indices. Dihydrazide inhibitor (AAD) exhibited the highest inhibition efficiency.

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