期刊
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
卷 82, 期 -, 页码 233-251出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.jtice.2017.09.021
关键词
Corrosion; Mild steel; SEM; Molecular dynamics simulation
资金
- Ministry of Human Resource Development (MHRD), New Delhi, India
The corrosion inhibition performance of three triazine derivatives namely 44(2-(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazineylidene)methyl)-N,N-dimethylaniline (HT-1), 3-(2-(4 methoxybenzylidene) hydrazineyl)-5,6-diphenyl-1,2,4-triazine (HT-2) and 2-(2-(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazineylidene) methyl)phenol (HT-3)on mild steel corrosion in1MHCI has been studied using gravimetric method, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization, scanning electron microscopy (SEM), Density functional theory (DFT) and molecular dynamics simulation. The corrosion inhibition efficiencies at optimum concentration (80 mg L-1) are 98.6% (HT-1), 97.1%(HT-2) and 94.3% (HT-3) respectively at 308 K. The corrosion inhibition efficiency increases with increase in concentration and decreases with increase in temperature. The adsorption of HTs on the surface of mild steel obeyed Langmuir isotherm. Potentiodynamic polarization study confirmed that inhibitors are mixed type with cathodic predominance. SEM analysis confirmed that metal surface is smooth in presence of inhibitors. Quantum chemical calculation and Molecular dynamics simulation further support the experimental findings. (C) 2017 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
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