Relationship between structure and inhibition behaviour of quinolinium salts for mild steel corrosion: Experimental and theoretical approach

Mourya, Punita; Singh, Praveen; Tewari, Ashish Kumar; Rastogi, Rajesh P.; Singh, Manjeet

doi:10.1016/j.corsci.2015.02.034

Cited by 199 publications

(45 citation statements)

References 64 publications

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“…AFM technique has been usually employed as a powerful tool for surface microstructural investigation and also surface morphological studies, considering the inability of SEM images to provide quantitative information about surface roughness . The three‐dimensional AFM images of carbon steel surfaces after soaking for 1 hr in 1‐M HCl solution without and with 3 mM of benzimidazole compounds at 30°C have been illustrated in Figure .…”

Section: Resultsmentioning

confidence: 99%

Experimental and theoretical evaluation of two benzimidazole derivatives for steel corrosion protection in HCl

Zafari

Sarabi

Movassagh

2019

Asia-Pacific J Chem Eng

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The introduction of two new benzimidazole derivatives, 2-nonyl-1H-benzo [d] imidazole (NB) and 2-benzyl-1-hexyl-1H-benzo [d]imidazole (HB), as corrosion inhibitors for steel is presented, and their activities are compared with 1Hbenzo[d]imidazole (B). The experimental performance of these molecules was evaluated by electrochemical techniques, surface observations, and contact angle measurement. The results showed the prominent action with inhibition efficiencies of 98.8% and 99.3% for 3 mM of NB and HB, respectively, at 303K. They are adsorbed on the metal surface base on Langmuir isotherm. It is noteworthy to note that increment of environment acidity causes more efficiency for both molecules so that the order of inhibitive activity in different pHs is pH = 2>pH = 1>pH = 0.1. Additionally, HB provides little better protection than NB. Statistical analysis was conducted to identify influential factors on the efficiency of HB and NB. A general factorial model in the main effect order was used by design of experiment 7 software. Analysis of variance resulted in acceptable R 2 values of 99% and 98% and significance of the applied model. Quantum chemical calculations were carried out to find the optimum structure, molecular parameters, and local reactive sites in gas and solution phase. Calculations exhibited a planar structure for 1-hexyl-1H-benzo[d]imidazole and 2-nonyl-1H-benzo [d]imidazole that is the reason of their high efficiencies.

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Section: Resultsmentioning

confidence: 99%

Experimental and theoretical evaluation of two benzimidazole derivatives for steel corrosion protection in HCl

Zafari

Sarabi

Movassagh

2019

Asia-Pacific J Chem Eng

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“…In contrast, lower values of E LUMO imply a higher electron accepting ability of the molecule [26]. The ∆E reflects the stability of a molecule, smaller value of ∆E suggests the molecule potentially adsorbing more easily on metal surface, the reactivity of the molecule towards metal surface being enhanced, thus, leading to increased inhibition efficiency of the molecule [30]. The data in Table 2 manifest that BAP with the lowest ∆E value (3.9835 eV) will adsorb onto Fe surface easier than MBA (∆E =5.1538 eV) and HYP (∆E =6.2758 eV).…”

Section: Resultsmentioning

confidence: 99%

Chemical Combination of 4-(4-Hydroxybut-2-ynyl) Pyridine and 3-Methylbenzenamine to Construct an Effective Inhibitor: Theoretical and Practical Investigation

2018

IJNN

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A new inhibitor, N-m-benzylamine-4-(4-hydroxybut-2-ynyl) pyridinium bromide (designated as BAP) was designed and synthesized. Quantum chemical calculation and molecular dynamics (MD) simulations manifested that BAP, a compound by covalent combination of 4-(4-hydroxybut-2-ynyl) pyridine (HYP) and 3-methyl benzenamine (MBA), functioned better than did the two moieties (HYP and MBA) for X70 steel corrosion inhibition. The corrosion inhibition investigation revealed that the experiment outcome was in good consistency with the theoretical calculation. The inhibition efficiency of BAP was 95.72% for X70 steel in 5 M HCl at 90 0C. BAP adsorbed on X70 steel surface, obeyed Langmuir isotherm, retarded both the metal dissolution and the hydrogen evolution, and enhanced greatly the acid corrosion resistance of X70 steel. Comparative test demonstrated that the inhibition efficiency of BAP was about 10 times of that for MAB and 8 times of that for HYP albeit the concentration of BAP was tenth of that of HYP and MBA. The experimental investigation backs up the theoretical calculation and manifests intramolecular synergism of the structure moieties being beneficial to design of high effective inhibitors.

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“…The plot of log (CR/T) against 1/T shown in Figure 7 gave a straight line with a slope = (-∆H*/2.303R) and an intercept = log [(R/Nh)-(∆S*/2.303R)], from which ΔH* and ΔS* values respectively were obtained and also listed in Table 4. The values of ΔS* in the absence and presence of TP extract are negative, suggesting that the activation stage of the adsorption process represents associative interactions between the steel and the inhibitor molecules rather than dissociative formation of iron and water molecules (Mourya et al, 2015). The positive values of ∆H* reflects the endothermic nature of the X80 steel dissolution process.…”

Section: Rtmentioning

confidence: 98%

Corrosion inhibition of API 5L X80 pipeline steel in acidic environment using aqueous extract of Thevetia peruviana

Int¹

2019

Preprint

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Aqueous extract of Thevetia peruviana leaves were investigated as corrosion inhibitor for API 5L X80 pipeline steel in 1M H2SO4 solution using electrochemical and gravimetric techniques. The results reveal that T. peruviana inhibited the X80 pipeline steel corrosion in the acid medium in a concentration dependent manner. Potentiodynamic polarization results showed T. peruviana to be a mixed type inhibitor in 1M H2SO4 environment, whereas the impedance results revealed adsorption of the inhibitor species on the steel surface. The gravimetric results reveal that the adsorption mechanism of the inhibitor on the steel surface was chemisorption. The adsorption was in accordance with Freundlich adsorption isotherm and negative standard adsorption energy (Δ𝐺o𝑎𝑑𝑠) obtained inferred that the adsorption was spontaneous and the interaction between the inhibitive molecules was found to be repulsive. Scanning electron microscopy (SEM) confirmed the formation of adsorbed film on the X80 pipeline steel surface. Results revealed that T. peruviana has potential to inhibit the correction and could possibly be used for corrosion inhibition in the acidic environment of steel.

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Relationship between structure and inhibition behaviour of quinolinium salts for mild steel corrosion: Experimental and theoretical approach

Cited by 199 publications

References 64 publications

Experimental and theoretical evaluation of two benzimidazole derivatives for steel corrosion protection in HCl

Experimental and theoretical evaluation of two benzimidazole derivatives for steel corrosion protection in HCl

Chemical Combination of 4-(4-Hydroxybut-2-ynyl) Pyridine and 3-Methylbenzenamine to Construct an Effective Inhibitor: Theoretical and Practical Investigation

Corrosion inhibition of API 5L X80 pipeline steel in acidic environment using aqueous extract of Thevetia peruviana

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