Density functional theory and molecular dynamics simulation studies of bio-based fatty hydrazide-corrosion inhibitors on Fe (110) in acidic media

• Main Authors: Mazlan, Najihah, Jumbri, Khairulazhar, Kassim, Mohd. Azlan, Abdul Wahab, Roswanira, Abdul Rahman, Mohd. Basyaruddin
• Format: Article
• Language: English
• Published: Elsevier B.V. 2022
• Subjects: QD Chemistry
• Online Access: http://eprints.utm.my/103428/1/RoswaniraAbdulWahab2022_DensityFunctionalTheoryandMolecularDynamics.pdf; http://eprints.utm.my/103428/; http://dx.doi.org/10.1016/j.molliq.2021.118321

Corrosion of metal pipelines is a huge industrial concern, with potential environmental pollution and economic loss. The implementation of a cost-effective technology in using waste palm oil as biobased corrosion inhibitors (CIs) has risen. However, the inhibition mechanism of CIs remains unclear du...