Corrosion inhibition ability of L-tryptophan and 5-hydroxy-L-tryptophan for mild steel: a combination of experimental and theoretical methods

• Published in: Physical chemistry chemical physics : PCCP 2024-08, Vol.26 (32), p.21712-21726
• Main Authors: Quy Huong, Dinh, Le My Linh, Nguyen, Quoc Thang, Le, Quang, Duong Tuan
• Format: Article
• Language: English
• Subjects: Adsorption; Bonding agents; Bonding strength; Chemical bonds; Corrosion; Corrosion inhibitors; Electrochemical impedance spectroscopy; Low carbon steels; Metal surfaces; Molecular dynamics; Quantum chemistry; Tryptophan
• ISSN: 1463-9076; 1463-9084; 1463-9084
• DOI: 10.1039/d4cp02181a

An investigation into the corrosion inhibition properties of L-tryptophan (TP) and 5-hydroxy-L-tryptophan (5-OH-TP) for mild steel in a 1.0 M HCl acidic medium was conducted using experimental and theoretical methods. Results obtained from polarization curve measurements reveal that TP and 5-OH-TP are effective mixed-type inhibitors, exhibiting the highest inhibition efficiencies of 91.22% and 94.05%, respectively, at a temperature of 293 K and a concentration of 10 M. However, their inhibition efficiencies gradually decline with increasing temperature, reaching the lowest values of 70.65% for TP and 73.55% for 5-OH-TP at a concentration of 10 M and a temperature of 323 K. The adsorption of TP and 5-OH-TP on the steel surface follows the Langmuir isotherm, suggesting monolayer adsorption. Electrochemical impedance spectroscopy analysis indicates that the adsorbed inhibitors form a protective film, effectively shielding the steel from corrosive agents in the solution. Notably, 5-OH-TP consistently exhibits superior inhibition efficiency compared to TP, attributed to the presence of polar OH groups that facilitate stronger bonding of the inhibitor molecule with the metal surface. Quantum chemical parameters and molecular dynamics simulations further confirm the superior corrosion inhibition ability of 5-OH-TP over TP in acidic environments. In particular, the binding energies of protonated TP at the N3 position and 5-OH-TP at the N4 position are 556.40 and 579.27 kJ mol , respectively.