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Experimental and computational studies of two antibacterial drugs as corrosion inhibitors for mild steel in acid media
Author(s) -
Guo L.,
Zhang S. T.,
Li W. P.,
Hu G.,
Li X.
Publication year - 2014
Publication title -
materials and corrosion
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.487
H-Index - 55
eISSN - 1521-4176
pISSN - 0947-5117
DOI - 10.1002/maco.201307346
Subject(s) - adsorption , corrosion , langmuir adsorption model , norfloxacin , quantum chemical , chemistry , molecular dynamics , computational chemistry , materials science , molecule , organic chemistry , biochemistry , ciprofloxacin , antibiotics
The inhibition of mild steel corrosion in 3% HCl solution by sulfamethoxazole (SZ) and norfloxacin (NF) were investigated at 25 °C using weight loss measurement. The measurements reveal that the inhibition efficiency grows with increasing concentrations of inhibitors, and the inhibition efficiency decreases in the order NF > SZ. The adsorption of inhibitor molecule on mild steel surface follow Langmuir isotherm. Quantum chemical calculation was performed to correlate electronic structure parameters of SZ and NF with their inhibition performances. The molecular dynamics simulations were applied to find the equilibrium adsorption configurations and calculate the interaction energy between inhibitors and iron surface. The efficiency order of the studied inhibitors obtained by experimental results was verified by theoretical calculations.