Combining Electrochemical and Theoretical Analysis to Evaluate Hydrogen Permeation Inhibitors During Free Corrosion

Silvério, Raquel L.; Araujo, Rodrigo G. de; Carvalho, Thais T.; Gomes, Bhetina C.; Borges, Ludmila de O.; Silva, Matheus G.; Paes, Lilian W. Coelho; Sangi, Diego P.; Yoneda, Julliane; Ferreira, Elivelton A.

doi:10.1590/1980-5373-MR-2023-0197

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Article • Mat. Res. 27 • 2024 • https://doi.org/10.1590/1980-5373-MR-2023-0197 copy

Combining Electrochemical and Theoretical Analysis to Evaluate Hydrogen Permeation Inhibitors During Free Corrosion

Authorship SCIMAGO INSTITUTIONS RANKINGS

In this work, electrochemical tests were performed to measure hydrogen permeation during free dissolution of carbon steel in the presence of the ionic liquids (ILs) 1-ethyl-3-methylimidazolium acetate [(EMIM)⁺(Ac)^-], 1-ethyl-3-methylimidazolium bromide [(EMIM)⁺(Br)^-], and 1-butyl-3-methylimidazolium tetrafluoroborate [(BMIM)⁺(BF₄)^-] in 5.4 mol L^-1 HCl aqueous solution. The permeation inhibition efficiencies (IEp (%)) of 5-hydroxy-2-nitromethylene-hexahydropyrimidine (HPY) and a commercial corrosion inhibitor (CCI) were also evaluated. Among the ILs, the (BMIM)⁺(BF₄)^- compound presented the highest corrosion and hydrogen permeation inhibition efficiencies, with values of 23% and 30%, respectively. The (EMIM)⁺(Br)^- and (EMIM)⁺(Ac)^- compounds were not effective against corrosion, but they presented IEp of 15.8% and 23%, respectively. The HPY compound demonstrated 61% effectiveness in preventing corrosion, while in silico evaluation indicated no toxicity. However, neither the HPY compound nor the CCI compound inhibited the entry of hydrogen into the carbon steel during the pickling process.

Keywords:
Carbon steel; hydrogen permeation; Devanathan-Stachurski cell; corrosion; ionic liquids

Carbon steel	Composition (wt.%)^a				Rockwell hardness (HRB)^b	Grain size (µm)^c	Pearlite (%)^c	Phase distribution^c
Carbon steel	C	Mn	P	S	Rockwell hardness (HRB)^b	Grain size (µm)^c	Pearlite (%)^c	Phase distribution^c
SAE 1008	0.08	0.27	0.02	0.01	82.9	9.5	4.5	random
SAE 1020	0.18	0.53	0.02	0.01	61.6	^* * It was not possible to determine the grain size of the 1020 sample, because the microstructure matrix was 48.2% pearlite.	48.2	random
Steel with scale	0.06	0.35	0.02	0.02	65.1	8.5	4.4	random

Solutions	Steels
2.7 mol L^-1 H₂SO₄ aqueous solution	1020
5.4 mol L^-1 HCl aqueous solution	1008,1020, and carbon steel (obtained after the hot strip mill process)
5.4 mol L^-1 HCl aqueous solution + 2 mmol L^-1 of (EMIM)⁺(Ac)^-	1020
5.4 mol L^-1 HCl aqueous solution + 2 mmol L^-1 of (EMIM)⁺(Br)^-	1020
5.4 mol L^-1 HCl aqueous solution + 2 mmol L^-1 of HPY	1020
5.4 mol L^-1 HCl aqueous solution + 1.1 mmol L^-1 of (BMIM)⁺(BF₄)^-	1008
5.4 mol L^-1 HCl aqueous solution + 2 mmol L^-1 of CCI	carbon steel (obtained after the hot strip mill process)

Conditions	R_s (Ω cm²)	CPE_dl (μF cm⁻² s^α-1)	n _dl	R_ct (kΩ cm²)	R_ox (kΩ cm²)	CPE_ox (μF cm⁻² s^α-1)	n _ox	χ² (10^-3)	L (nm)
Without hydrogen permeation	29	53	0.9	30	48	15	1.0	0.1	69
Without hydrogen permeation	(0.2)	(0.6)	(0.1)	(8.7)	(30.3)	(8.9)	(11.4)	0.1	69
With hydrogen permeation	28	49	0.9	13	23	22	0.9	0.3	-
With hydrogen permeation	(0.3)	(1.2)	(0.2)	(12.2)	(21.9)	(9.8)	(11.9)	0.3	-

Parameters	HPY	(BMIM)⁺(BF₄)^-
E_HOMO (eV)	-6.06	-7.69
E_LUMO (eV)	-1.28	-0.91
I (eV)	6.06	7.69
A (eV)	1.28	0.91
ΔE (eV)	4.78	6.78
χ	3.67	4.30
η (eV)	2.39	3.39
S (eV^-1)	0.418	0.295
ΔN	0.70	0.40

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