Theoretical study of inhibition efficiencies of some amino acids on corrosion of carbon steel in acidic media: green corrosion inhibitors

Amino Acids ◽  
2015 ◽  
Vol 48 (1) ◽  
pp. 291-306 ◽  
Author(s):  
Maryam Dehdab ◽  
Mehdi Shahraki ◽  
Sayyed Mostafa Habibi-Khorassani
2013 ◽  
Vol 78 (12) ◽  
pp. 2069-2086 ◽  
Author(s):  
Ingrid Milosev ◽  
Jasminka Pavlinac ◽  
Milan Hodoscek ◽  
Antonija Lesar

Experimental electrochemical methods combined with quantum chemical calculations and molecular dynamics simulations were used to investigate the possibility of use various amino acids as ?green? corrosion inhibitors for copper in 0.5 M HCl solution. Among eleven amino acids studied, cysteine achieved the highest inhibitor effectiveness reaching 52% at 10 mM concentration. Other amino acids reached achieved effectiveness less than 25%, some of them even acted as corrosion accelerators. Based on the experimental results, theoretical calculations and simulations were focused on cysteine and alanine. The electronic and reactivity parameters of their protonated forms in electrical double layer were evaluated by density functional calculations. In addition, molecular dynamic simulations were introduced to follow the adsorption behaviour of these two amino acids at the Cu(111) surface in the electrolyte solution. The results indicate that the orientation of both molecules is nearly parallel to the surface except of ammonium group which is directed away from the surface. Therefore, as the orientation of the cysteine and alanine molecules at the surface is similar, thiol functional group is responsible for superior inhibition efficiency of cysteine.


2018 ◽  
Vol 181 ◽  
pp. 191-199 ◽  
Author(s):  
Kegui Zhang ◽  
Wenzhong Yang ◽  
Xiaoshuang Yin ◽  
Yun Chen ◽  
Ying Liu ◽  
...  

2015 ◽  
Vol 51 (3) ◽  
pp. 252-256 ◽  
Author(s):  
M. D. Plotnikova ◽  
I. A. Tiunov ◽  
A. A. Novikov ◽  
A. A. Khrenova ◽  
A. B. Shein

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