کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5161214 1501679 2017 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Sulphonamides as corrosion inhibitor: Experimental and DFT studies
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Sulphonamides as corrosion inhibitor: Experimental and DFT studies
چکیده انگلیسی
Inhibitors are synthetic and natural molecules have various functional groups like double or triple bonds and heteroatoms; N, O or S, which permit adsorption onto the MS (metal surface). These inhibitors have the ability to adsorb onto the MS and block the active site that was reducing the corrosion rate. Inhibition efficiencies of the investigated compounds: Sulfacetamide (SAM), Sulfamerazine (SMR), Sulfapyridine (SPY) and Sulfathiazole (STI), as inhibitors in corrosive solution were evaluated based on weight loss technique. Nitro and Amino groups were chosen for the study of the substituted reaction of four corrosion inhibitor compounds: SAM, SMR, SPY and STI, theoretically utilizing the thickness capacities hypothesis DFT (density functions theory) method with the level [rB3LYP/6-311G(d,p)]. Our research demonstrated that the nitration of studied molecules lead to a diminishing in inhibition efficiencies, group lead to an increase in inhibition efficiency. Compared with corrosion inhibitor molecules these results gave a significant improvement in inhibition efficiency for corrosion inhibitor molecules.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1138, 15 June 2017, Pages 27-34
نویسندگان
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