مقاله Study of the corrosion inhibition efficiencies some amino Acids by quantum chemical calculations

 مقاله Study of the corrosion inhibition efficiencies some amino Acids by quantum chemical calculations

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مقاله Study of the corrosion inhibition efficiencies some amino Acids by quantum chemical calculations دارای 9 صفحه می باشد و دارای تنظیمات در microsoft word می باشد و آماده پرینت یا چاپ است

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بخشی از متن مقاله Study of the corrosion inhibition efficiencies some amino Acids by quantum chemical calculations :

سال انتشار: 1389

محل انتشار: اولین همایش ملی فناوری های نوین در صنایع نفت و گاز

تعداد صفحات: 9

نویسنده(ها):

Maryam Dehdab – Dipartment of Chemistry, Faculty of Engineering, Islamic Azad University, Alishahr Branch
Masoud Zamani – 2Dipartment of Chemistry, Faculty of Engineering, Islamic Azad University, Alishahr Branch
Mostafa Narimani – 3Department of Gas Engineering, Faculty of Engineering, Islamic Azad University, Omidieh Branch

چکیده:

Quantum chemical calculations using the density functional theory (DFT) and ab initio methods were performed on nine amino acids grouped under three skeletons used as corrosion inhibitors for mild steel to determine the relationship between molecular structure and their inhibition efficiencies.the results of the quantum chemical calculations and experimental %IE were subjected to correlation analysis and indicate that their inhibition effect are closely related to hardness, polarizability, electrophilicity. The %IE increased with increase in plarizability, electrophilicity and decrease in hardness

عنوان محصول دانلودی: مقاله Study of the corrosion inhibition efficiencies some amino Acids by quantum chemical calculations
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مقاله Study of the corrosion inhibition efficiencies some amino Acids by quantum chemical calculations