پديدآورندگان :
Honarmand Ebrahim e.honarmand@qom.ac.ir Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran; , Mostaanzadeh Hossein Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran , Abbasi Afshin Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran , Kiamehr Mostafa Department of Chemistry, Faculty of Science, University of Qom, Qom, Iran
كليدواژه :
opuntia , Aluminum , corrosion inhibitor , global hardness , density functional theory
چكيده فارسي :
The use of opuntia ficus indica extract as an aluminum corrosion inhibitor was investigated. The correlation between inhibitive effect and molecular structures was studied. Some parameters, such as EHOMO, ELUMO, gap energy (∆E), electronegativity (χ), global hardness (η) and the fraction of electrons transferred from the inhibitor molecule to the metallic atom (∆N) were calculated.
