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


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


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.


Main Subjects

Articles in Press, Accepted Manuscript
Available Online from 04 June 2024
  • Receive Date: 20 April 2024
  • Revise Date: 10 May 2024
  • Accept Date: 03 June 2024