Corrosion behaviors of Q235 carbon steel under imidazoline derivatives as corrosion inhibitors: Experimental and computational investigations

Liu, Xiong; Wang, Pengjie; He, Zhongyi; Chen, Qi; Pu, Jibin; Zhang, Renhui

doi:10.1016/j.arabjc.2020.102952

Cited by 60 publications

(35 citation statements)

References 45 publications

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“…As shown in Table 7 combining our previous studies, [11] the order of

Δ E

of inhibitor molecule: SMIF (0.629) <SMIS(0.815) < SMID (0.834), SMIF + (0.629) < SMIS + (0.941)< SMID + (0.834), whether in the solvation or protonation, the experimental results match the simulation results. Among the inhibitors, SMIF has the lowest energy gap (

Δ E)

, which indicates that SMIF has higher activity and higher inhibition ability.…”

Section: Results Analysissupporting

confidence: 76%

“…And the inhibition efficiency is 92.03 %, owing to the corresponding adsorption between SMIS and carbon steel, forming a stable protective film on Q235 carbon steel. [17] Combined with our previous research, [11] the inhibition efficiency of SMIF (95.92 %) > SMIS (92.03 %) > SMID (89.08 %). The inhibition efficiency of SMIF and SMIS is higher than SMID, mainly governed by the Π electrons of SMIF and SMID, which combined with the 3d orbit of Fe.…”

Section: Tafel Analysissupporting

confidence: 73%

“…C=S bond and imidazole ring are the best adsorption site, SMIS is adsorbed on the surface of carbon steel, which can also play a role in preventing the corrosion of Q235 surface [43] . According to the previous research, [11] the adsorption energy: SMIF (−227.155 kcal/mol) > SMIS (−156.356 kcal/mol) > SMID (−103.637 kcal/mol) respectively. The results of MD agree well with the experiment.…”

Section: Results Analysismentioning

confidence: 90%

“…

Δ {normalG}_{a d s}^{0}

was calculated from Eq (6). The values of SMID, SMIS and SMIF are −33.52 kJ mol −1 , −34.45 kJ mol −1 and −34.56 kJ mol −1 [11] . From the thermodynamic point of view, the inhibitor can be adsorbed on the Fe surface to form a protective film, and this process is spontaneous [38] .…”

Section: Results Analysismentioning

confidence: 99%

“…[10] Imidazoline derivatives have high corrosion inhibition performance, according to earlier studies. [11] In order to explore the effect of different functional groups on the corrosion inhibition performance, SMIS (À C=C), SMIF (-ph) and SMID (À CH 3 ) molecules were synthesized, analysed, and compared using weight loss experiment, electrochemical experiment and theoretical calculation.…”

Section: Introductionmentioning

confidence: 99%

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Experimental and Theoretical Studies on the Inhibition Properties of an Imidazoline Derivative on Q235 Corrosion in a Simulated Concrete Pore Solution

et al. 2022

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A novel imidazoline derivative has been synthesized and its molecular structure has been confirmed by IR, Raman, elemental analysis and NMR, the molecular structure of the inhibitor is similar to that of the previous research. In this paper, the inhibition performance and inhibition mechanism of the three inhibitors (SMID, SMIS and SMIF) in concrete simulation solution are analyzed and compared. The corrosion inhibition efficiency of SMIF (96.02 %) > SMIS (93.62 %)>SMID(93.01 %) in weight loss experiment, the SMIS of electrochemistry of Nyquist and potentiodynamic polarization were 89.72 % and 92.03 % respectively, which indicated that SMIS had good corrosion inhibition effect. Electrochemical experiments show that the SMIS belongs to anodic type, and the mechanism of SMIS can form a protective film on the surface Q235 and inhibit the charge transfer. The results of FTIR, EDS and XPS show that SMIS can be adsorbed on the surface of Q235, which is also confirmed by density functional theory (DFT) and molecular dynamics simulation (MD).

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“…As shown in Table 7 combining our previous studies, [11] the order of

Δ E

Δ E)

, which indicates that SMIF has higher activity and higher inhibition ability.…”

Section: Results Analysissupporting

confidence: 76%

Section: Tafel Analysissupporting

confidence: 73%

Section: Results Analysismentioning

confidence: 90%

“…

Δ {normalG}_{a d s}^{0}

Section: Results Analysismentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Experimental and Theoretical Studies on the Inhibition Properties of an Imidazoline Derivative on Q235 Corrosion in a Simulated Concrete Pore Solution

et al. 2022

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Synthesis of alkynyl alcohol derivatives and its corrosion inhibition on N80 steel in 5 M HCl

Tu,

Li,

et al. 2024

Asia-Pacific J Chem Eng

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Alkynyl alcohol derivatives (N‐14) were synthesized by 2‐chloromethyl pyridine, propargyl alcohol and bromotetradecane and the structure was confirmed by 1H NMR, 13C NMR, MS and FTIR. The corrosion inhibition performance was evaluated by weight loss, Tafel polarization, EIS measurements and DFT quantum calculations. The results proved that N‐14 effectively inhibited the acid corrosion of N80 steel. The corrosion inhibition of N‐14 increased with its concentration and decreased with increasing temperature. A maximum of 99.56% inhibition efficiency was achieved using 5 × 10−5 mol/l of N‐14 at 60°C. Thermodynamic parameters showed that the adsorption of N‐14 on N80 steel is spontaneous and exothermic, conforming to Langmuir's adsorption. Electrochemical results showed that N‐14 behaved as a mixed‐type inhibitor. In addition, corrosion products produced on N80 steel surface were researched by SEM, XRD, UV and contact angle. At the same time, the corrosion inhibition mechanism was discussed.

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Extraordinary corrosion inhibition efficiency of omeprazole in 1 M HCl solution: Experimental and theoretical investigation

Wang

Liu

et al. 2023

Surface & Interface Analysis

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Omeprazole (OL) as a green and efficient drug corrosion inhibitor was first investigated for the corrosion inhibition of Q235 carbon steel at 298, 308, and 318 K. Open circuit potential, Tafel, electrochemical impedance spectroscopy, and weight loss were used to evaluate the inhibition performance toward Q235 carbon steel in HCl medium. The results showed that OL exhibited excellent corrosion protection to carbon steel at different temperatures because of forming the compact and ordered OL adsorption film on Q235 surface. Especially, the inhibition efficiency increased to 96.11%, 95.12%, and 94.04% for 40-mg/L OL in Tafel at 298, 308, and 318 K. Meanwhile, N-Fe and S-Fe bonds determined from X-ray photoelectron spectroscopy revealed the multiple anchoring interactions between steel and OL with S and N atoms as the active sites. Density functional theory and molecular dynamics simulations showed the low energy gap ΔE and high adsorption energy values, besides the radial distribution function (RDF) indicating the strong chemical sorption of OL on Fe surface, which proved the superior corrosion inhibition efficiency of OL at a molecular or atomic level.

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Corrosion behaviors of Q235 carbon steel under imidazoline derivatives as corrosion inhibitors: Experimental and computational investigations

Cited by 60 publications

References 45 publications

Experimental and Theoretical Studies on the Inhibition Properties of an Imidazoline Derivative on Q235 Corrosion in a Simulated Concrete Pore Solution

Experimental and Theoretical Studies on the Inhibition Properties of an Imidazoline Derivative on Q235 Corrosion in a Simulated Concrete Pore Solution

Synthesis of alkynyl alcohol derivatives and its corrosion inhibition on N80 steel in 5 M HCl

Extraordinary corrosion inhibition efficiency of omeprazole in 1 M HCl solution: Experimental and theoretical investigation

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