Corrosion inhibitors, molecular docking and quantum chemical parameters of allyl rhodanine azodye derivatives and developed to protect C-steel in acidic environments

El-Sonbaty, Ahmed A.; Al-Sarawy, Ahmed Ahmed; Mossad, Mohamed; Mahmoud, Mahmoud Hanafy

doi:10.21608/ejchem.2024.284076.9618

Corrosion inhibitors, molecular docking and quantum chemical parameters of allyl rhodanine azodye derivatives and developed to protect C-steel in acidic environments

Document Type : Original Article

Authors

¹ Mathematical and Physical Engineering Department, Faculty of Engineering, Mansoura University, El-Mansoura, Egypt

² Public Works Engineering Department, Faculty of Engineering, Mansoura University, Mansoura 35516, Egypt

³ Mathematical and Physics Department, Faculty of Engineering, Mansoura University, Egypt2

10.21608/ejchem.2024.284076.9618

Abstract

The inhibitive impact of new environmentally friendly synthesized allyl rhodanine azodye derivatives (1-3) versus C-steel and its performance were detected in 2 malar hydrochloric acid solution utilized mass reduction, Tafel polarization, electrochemical impedance spectroscopy (EIS) and electrochemical frequency modulation (EFM) techniques. The inhibition efficiency percentage (% IE) of these investigated composite is: inhibitor (1) > (2) > (3). The mixed-kind inhibitor allyl rhodanine azodye compounds have isotherm Temkin-following adsorption habits on C-steel. The temperature effect on corrosion protection has been research and the activation thermodynamic was measured. It appears that a decrease in corrosion protection effectiveness with rising temperatures caused the inhibitor to desorb. Utilizing scanning electron microscope and energy dispersive X-ray spectroscopy (SEM–EDX) and the morphology of inhibited C-steel was examined. The data show that the effectiveness of the protection increases with increasing inhibitor doses. The receptor of the breast cancer 3hb5-oxidoreductase was predicted to bind with allyl rhodanine azodye derivatives via molecular docking. The data showing a decline in EHOMO and ELUMO orders corresponds with an increase in % IE that strengthens the preceding order.

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