شماره ركورد كنفرانس
3834
عنوان مقاله
DFT Investigation of inhibitive behaviour of opuntia components on aluminum corrosion
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
تعداد صفحه
3
كليدواژه
opuntia , Aluminum , corrosion inhibitor , global hardness , density functional theory
سال انتشار
1395
عنوان كنفرانس
نوزدهمين سمينار شيمي فيزيك ايران
زبان مدرك
انگليسي
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.
كشور
ايران
لينک به اين مدرک