Weight Loss, Electrochemical, Quantum Chemical Calculation, and Molecular Dynamics Simulation Studies on 2-(Benzylthio)-1,4,5-triphenyl-1H-imidazole as an Inhibitor for Carbon Steel Corrosion in Hydrochloric Acid

2013 ◽  
Vol 52 (40) ◽  
pp. 14315-14327 ◽  
Author(s):  
Dris Ben Hmamou ◽  
Rachid Salghi ◽  
Abdelkader Zarrouk ◽  
Mohamed Reda Aouad ◽  
Omar Benali ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Weight Loss ◽  
Molecular Dynamics Simulation ◽  
Carbon Steel ◽  
Hydrochloric Acid ◽  
Quantum Chemical ◽  
Steel Corrosion ◽  
Dynamics Simulation ◽  
Chemical Calculation ◽  
Simulation Studies

5-Arylpyrimido-[4,5-b]quinoline-diones as new and sustainable corrosion inhibitors for mild steel in 1 M HCl: a combined experimental and theoretical approach

RSC Advances ◽  
2016 ◽  
Vol 6 (19) ◽  
pp. 15639-15654 ◽  
Author(s):  
Chandrabhan Verma ◽  
L. O. Olasunkanmi ◽  
I. B. Obot ◽  
Eno E. Ebenso ◽  
M. A. Quraishi
Keyword(s):  
Molecular Dynamics ◽  
Weight Loss ◽  
Molecular Dynamics Simulation ◽  
Mild Steel ◽  
Quantum Chemical ◽  
Corrosion Inhibitors ◽  
Steel Corrosion ◽  
Dynamics Simulation ◽  
Simulation Methods ◽  
Mild Steel Corrosion

The inhibition of mild steel corrosion in 1 M HCl by four 5-arylpyrimido-[4,5-b]-quinoline-diones has been investigated using weight loss, electrochemical, surface, and quantum chemical calculations and molecular dynamics simulation methods.

scholarly journals Efficient corrosion inhibition by sugarcane purple rind extract for carbon steel in HCl solution: mechanism analyses by experimental and in silico insights

RSC Advances ◽  
2021 ◽  
Vol 11 (50) ◽  
pp. 31693-31711
Author(s):  
Siguang Meng ◽  
Zining Liu ◽  
Xiaoqi Zhao ◽  
Baomin Fan ◽  
Hao Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Weight Loss ◽  
Molecular Dynamics Simulation ◽  
Carbon Steel ◽  
Corrosion Inhibition ◽  
In Silico ◽  
Dft Calculation ◽  
Dynamics Simulation ◽  
Solution Mechanism ◽  
Hcl Solution

The anticorrosive mechanism of extracted components from sugarcane purple rind for carbon steel in HCl solution is clarified by weight loss, electrochemical and theoretical (novel DFT calculation and molecular dynamics simulation) analyses.

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