Corrosion Inhibition of Bronze Cultural Relics by 2-aminino-5-mercapto 1,3,4- thiadizole: a Density Functional Theoretical Analysis
LI Xiaodong1, AN Meimei2
1 School of Chemical Engineering and Technology, Tianshui Normal University, Tianshui 741000; 2 School of History and Culture, Tianshui Normal University, Tianshui 741000
Abstract: Inhibition efficiency of the corrosion inhibitor 2-aminino-5-mercapto-1,3,4-thiadizole (AMT) to bronze cultural relics have been investigated by weight loss and potentiodynamic polarization techniques.The weight loss studies showed that the inhibition efficiency of AMT was up to 100% when the inhibitor AMT was 5.0 mmol/L in 1.0×103 mmol/L H2SO4 and citric acid solution at 25 ℃. The electrochemical analysis showed that the inhibition efficiency was up to 92.76% and corrosion current density dropped to 4.71 μA/cm2 when the inhibitor AMT was 1.0 mmol/L in 28.0 mmol/L NaCl+10.0 mmol/L Na2SO4 +16.0 mmol/L NaHCO3 mixed solution. The quantum chemical calculated results indicated that the main active center distributed in S7, S3 and N6 atoms in inhibitor AMT, and the effect and proportion of ingredients in frontier molecular orbit of AMT were also analyzed by Multiwfn function. It was found that the theoretical analysis was consistent with the experimental results to inhibitor AMT.
李晓东,安梅梅. 2-氨基-5-巯基-1,3,4-噻二唑对青铜文物的缓蚀性能及密度泛函理论分析*[J]. 材料导报编辑部, 2017, 31(22): 163-168.
LI Xiaodong, AN Meimei. Corrosion Inhibition of Bronze Cultural Relics by 2-aminino-5-mercapto 1,3,4- thiadizole: a Density Functional Theoretical Analysis. Materials Reports, 2017, 31(22): 163-168.
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2017, Vol. 31 
