Electrochemical and computational estimations of cephalosporin drugs as eco-friendly and efficient corrosion inhibitors for aluminum in alkaline solution.

ABSTRACT: In this study, the anionic state of Ceftriaxone sodium (Cefx) and Ceftazidime (Cefz) medication corrosion inhibition capabilities for Al in 0.1 M NaOH solution are explored using various electrochemical analyses. Furthermore, the morphological structure and surface chemical composition of the impact of these drugs on the Al substrate in NaOH are investigated. For the prediction and analysis of interactions between molecule structure and inhibition efficiency, quantum chemical calculations (QC), Monte Carlo simulations (MC), and molecular dynamics (MD) simulations (MD) are performed. The electrochemical findings reveal that the inhibitory effectiveness increases with increasing drug concentrations and declines with rising temperature, reaching a maximum value of 78.4% for 300 ppm Cefx while

SUBMITTER: Mohamedien HA 

PROVIDER: S-EPMC9349255 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature