Chemistry Journal of Moldova

EMPLOYMENT OF IN SILICO IN PREDICTION OF FURAN DERIVATIVES AS EFFICIENT CORROSION INHIBITORS FOR MILD STEEL IN ACIDIC MEDIA

Author(s):

Maimoonah Khalid Qasim, Rabah Ali Khalil


Field: Physical chemistry and chemical physics
Type: Research paper
Pages:
Keywords:

furan derivative, in silico, corrosion inhibitor, mild steel, density functional theory.


 
https://doi.org/10.19261/cjm.2025.1342
 
Abstract (PDF)
Graphycal Abstract: The contribution of in silico analysis in the development of corrosion inhibitors field by predicting adequate new molecules that could be employed for this purpose. QSAR analysis of already published experimental results of corrosion inhibition efficiency (IE%) of mild steel in acidic media for eighteen furan derivatives was performed.