Density functional theory studies on new possible biobased gemini corrosion inhibitors derived from fatty hydrazide derivatives

• Main Authors: Hassan, Almila, Numin, Mohd. Sofi, Jumbri, Khairulazhar, Kee, Kok Eng, Borhan, Noorazlenawati, Nik Mohamed Daud, Nik Mohd. Radi, Mohammed Nor, Azmi, Suhor, Muhammad Firdaus, Abdul Wahab, Roswanira
• Format: Article
• Language: English
• Published: American Chemical Society 2022
• Subjects: QD Chemistry
• Online Access: http://eprints.utm.my/104861/1/RoswaniraAbWahab2023_DensityFunctionalTheoryStudiesonNew.pdf; http://eprints.utm.my/104861/; http://dx.doi.org/10.1021/acsomega.3c02435

Several new possible biobased corrosion inhibitors derived from fatty hydrazide derivatives were analyzed using quantum chemical calculations via the density functional theory method to investigate the chemical reactivity and inhibition efficiencies against corrosion in metal steel. The study confir...