Pivotal Role of Heteroatoms in Improving the Corrosion Inhibition Ability of Thiourea Derivatives

Huong, Dinh Quy; Hương, Nguyễn Thị Lan; Nguyet, Tran Thi; Dương, Trần; Tuan, Dinh; Thong, Nguyen Minh; Nam, Pham Cam

doi:10.1021/acsomega.0c04241

Cited by 39 publications

(8 citation statements)

References 52 publications

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“…The main objective of this strategy was to introduce the radial distribution function ("RDF"). This evaluation is a crucial strategy used to calculate the interatomic distances between atoms, such as N1, O11, N14, and N17 for TIMQ and Fe, and N1, O11, N14, and N17, and Cl36 for CDIQ and iron [106]. According to the research literature, chemical adsorption is more likely when the bond length values are less than 3.5 Å.…”

Section: Rdf Analysismentioning

confidence: 99%

Assessment of New Imidazol Derivatives and Investigation of Their Corrosion-Reducing Characteristics for Carbon Steel in HCl Acid Solution

et al. 2023

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This study assessed the corrosion inhibitory and adsorption properties of two imidazol derivatives, namely 5-((2,4,5-triphenyl-1H-imidazol-1-yl)methyl)quinolin-8-ol (TIMQ) and 5-((2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)quinolin-8-ol (CDIQ), on carbon steel (CS) in 1 M of HCl using electrochemical methods, including electrochemical impedance spectroscopy (EIS), potentiodynamic polarization measurements (PDP), UV–visible spectroscopy (UV–v), scanning electron microscopy (SEM), and molecular modeling. The findings showed that TIMQ and CDIQ were potent inhibitors with inhibition efficiencies of 94.8% and 95.8%, respectively. The potentiodynamic polarization experiments showed that the inhibitors worked as mixed-type inhibitors, and the impedance investigations supported the improvement of a protective layer for the inhibitor on the metal surface. Each inhibitor was adsorbed onto the carbon steel surfaces, according to the Langmuir adsorption method. The steel was shielded from acidic ions by an adsorbed coating of the inhibitor molecules, according to SEM. Density functional theory (DFT) calculations and molecular dynamics (MD) simulations were used to inspect the results, and a good correlation was found between these results and those of the study. This information can be applied to determine the effectiveness of inhibitors in a HCl acid solution.

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Section: Rdf Analysismentioning

confidence: 99%

Assessment of New Imidazol Derivatives and Investigation of Their Corrosion-Reducing Characteristics for Carbon Steel in HCl Acid Solution

et al. 2023

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“…The amount of effectiveness of metallic corrosion inhibition depends on the ability to share electrons and the electronegativity of the heteroatoms existing in the inhibitor molecule. The electronegativities of famous heteroatoms in corrosion inhibition are like this: P < S < N < O 20–22 . Therefore, the presence of heteroatoms on the absorption of corrosion‐inhibitory molecules on the metallic surface is significant.…”

Section: Introductionmentioning

confidence: 99%

“…The electronegativities of famous heteroatoms in corrosion inhibition are like this: P < S < N < O. [20][21][22] Therefore, the presence of heteroatoms on the absorption of corrosion-inhibitory molecules on the metallic surface is significant.…”

mentioning

confidence: 99%

Two novel phosphoramide derivatives moiety as corrosion inhibitor for mild steel: Experimental and theoretical study

Gholivand,

Barzegari,

Kashani

et al. 2023

Applied Organom Chemis

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Two novel phosphoramide containing thiazole derivatives with the name of bis(5‐amino‐1,3,4‐thiadiazol‐2‐yl) phenylphosphonotrithioate (C1) and O, O‐diethyl (5‐((diethoxyphosphorothioyl) thio)‐1,3,4‐thiadiazol‐2yl) phosphoramidothioate (C2) as corrosion inhibition were synthesized and identified by 1H NMR, 13C NMR, 31P NMR, IR, and mass spectroscopies. The electrochemical behavior of mild steel (MS) in hydrochloric acid 1‐M (HCl) solution was perused in the absence and presence of C1 and C2. To determine corrosion inhibition of phosphoramide compounds, scanning electron microscopy (SEM), potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS) were used. The EIS results show that the charge transfer resistance increases with the addition of inhibitors to the hydrochloric acid solution. The most inhibitor efficiency was 89%, which demonstrated the appropriate anti‐corrosion property of C1. EIS results show better charge transfer resistance on the surface of MS at increased inhibitor concentrations. The PDP analysis showed that C1 and C2 are mixed‐type inhibitors. The PDP examination appeared that C1 and C2 are mixed‐type inhibitors. To way better get the comes about of corrosion inhibition and structure of target compounds, the highest occupied molecular orbital (HOMO) and least unoccupied molecular orbital (LUMO) energies, hardness, dipole moment, and electrophilicity index of synthesized compounds were explored computationally using the density functional theory (DFT) strategy. The hypothetical comes about in great understanding with the exploratory information.

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“…The latter three species are not known to be cultivated [15]. C. nitida is referenced to have phytochemicals that possess extensive conjugation with substantial 𝜋 − electron systems and as well contain heteroatoms such as N, S, O or heterocyclic ring in their structures that serve as rally points for interaction with the metal surface [16,1,15,17]. These characteristics enhance the potential of the phytochemicals in the seeds extract of C. nitida to inhibit corrosion.…”

Section: Introductionmentioning

confidence: 99%

Isolation, Characterisation and Corrosion Inhibition Evaluation of 1, 3, 5-Trimethoxymethyl benzene from Seeds Extract of Cola nitida on Mild Steel Surface in Hyhrochloric Acid Solution

Obodom,

Abakedi,

Akpan

2023

CSIJ

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Corrosion inhibition of Mild steel in 1 M hydrochloric acid solution by 1, 3, 5-trimethoxymethylbenzene (TMMB) isolated from seeds extract of Cola nitida was studied using weight loss, potentiodynamic polarization and electrochemical impedance spectroscopic methods. TMMB was isolated from seeds of C. nitida by 72 hours maceration of the chopped seeds with dichloromethane. Filtered and concentrated extract was subjected to a combination of vacuum liquid, column and thin layer chromatographic techniques. The isolated compound was characterized using Fourier Transform Infra-Red (FT-IR) spectrophotometer, proton nuclear magnetic resonance (+H-NMR), C13 – NMR and DEPT-135 NMR spectrophotmeters. The results showed that the inhibition efficiency recorded by the weight loss method increased with the increase in TMMB concentration, but decreased with increasing temperature. The inhibition efficiencies recorded by the potentiodynamic polarization and electrochemical impedance spectroscopic methods also increased with increase in the concentration of TMMB. The calculated thermodynamic parameters showed that the corrosion inhibition process was endothermic and spontaneous in nature. Potentiodynamic polarization measurements confirmed that TMMB worked as a mixed – type inhibitor considering the value of Ecorrbeing less than 85 mV. Impedance measurement revealed that the charge transfer resistance offered by TMMB to the migration of aggressive ions on the surface of mild steel in acidic solution was enough to impede corrosion. The best line of fit to the adsorption of TMMB onto mild steel surface was found in Temkin isotherm. Formation of protective dense film on the steel surface in the presence of TMMB compared to the blank was revealed by scanning electron microscopy. The molecular structure of TMMB was optimized using Gausian 09 with density functional theory [DFT/B3LYP/6-31G (d,p)]. Physical adsorption has been proposed for the adsorption of TMMB onto mild steel surface.

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Pivotal Role of Heteroatoms in Improving the Corrosion Inhibition Ability of Thiourea Derivatives

Cited by 39 publications

References 52 publications

Assessment of New Imidazol Derivatives and Investigation of Their Corrosion-Reducing Characteristics for Carbon Steel in HCl Acid Solution

Assessment of New Imidazol Derivatives and Investigation of Their Corrosion-Reducing Characteristics for Carbon Steel in HCl Acid Solution

Two novel phosphoramide derivatives moiety as corrosion inhibitor for mild steel: Experimental and theoretical study

Isolation, Characterisation and Corrosion Inhibition Evaluation of 1, 3, 5-Trimethoxymethyl benzene from Seeds Extract of Cola nitida on Mild Steel Surface in Hyhrochloric Acid Solution

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