Experimental and DFT studies on the ultrasonic energy-assisted extraction of the phytochemicals of <i>Catharanthus roseus</i> as green corrosion inhibitors for mild steel in NaCl medium

Palaniappan, N.; Cole, Ivan; Caballero‐Briones, F.; Manickam, Sivakumar; Thomas, K. R. Justin; Santos, Dheiver

doi:10.1039/c9ra08971c

Cited by 41 publications

(14 citation statements)

References 82 publications

(77 reference statements)

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“…C. roseus produces vinblastine (branded named as velban) and vincristine which extracted from the C. roseus generally utilized in treating Hodgkin's disease, testicular tumors, breast carcinoma, choriocarcinoma, Kaposi sarcoma acute lymphocytic leukemia, lymphosarcoma, lymphogranulomatosis and in solid infant tumors so on [55], [56]. It contains several functional entities such as fused heterocycles, hydroxyl and carbonyl groups which enhanced the corrosion inhibition action for mild steel in NaCl [57] and HCl [58] media.…”

Section: Introductionmentioning

confidence: 99%

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Assessment on the Effective Green-Based Nepal Origin Plants Extract as Corrosion Inhibitor for Mild Steel in Bioethanol and its Blend

Katuwal

Regmi

Joshi

et al. 2020

EJCHEM

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Effects of Nepal origin plant species of Vitex negundo, Catharanthus roseu, Aegle marmelos and Elaeocarpus ganitrus extracts on mild steel corrosion were explored in bioethanol (E100) and its blend (E15) in airtight condition at 25±2 °C using static immersion, inhibition efficiency and mechanism tests which were complemented with adsorption isotherms and potentiodynamic polarization studies. Corrosion resistance of the mild steel was increased with increasing 500-2000 ppm concentrations of each plant extract in E100 and E15 biofuels. Additions of V. negundo and C. roseus extract separately in both the biofuels seems to be more effective inhibition actions to prevent the mild steel corrosion than A. marmelos or E. ganitrus addition so as the corrosion rates of the mild steel in E100 and E15 are successfully lowered even than in commercial gasoline (E0). The results obtained from the corrosion rate revealed the order of the corrosion inhibition efficiency (IE) as V. negundo > C. roseus > A. marmelos > E. ganitrus. The maximum IE (IEmax) in V. negundo and C. roseus leaves was showed about 89-86% and 71-75%, respectively, at 2000 ppm concentration, in spite of the other two more plants leaf extract also used as the corrosion inhibitors for the mild steel in both E100 and E15 biofuels. The IE increased on increasing inhibitor concentration following the Langmuir and Temkin adsorption isotherms but decreased with immersion time which suggested that the corrosion inhibition mechanism is of physical type of adsorption of the leaves constituents on the mild steel surface. A. marmelos extract acted as an anodic type of inhibitor in E100 and E15, while E. ganitrus acted as mixed

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Section: Introductionmentioning

confidence: 99%

“…For examples, the corrosion inhibitive performance of V. negundo leaf extract in nitric acid for copper metal [37] and in alkaline solution for aluminum metal [74] was investigated. The phytochemicals of C. roseus extract were tested as good corrosion inhibitor for mild steel in aqueous 3.5 % NaCl [37], [57] and 1 M HCl [58] solutions.…”

Section: Introductionmentioning

confidence: 99%

Assessment on the Effective Green-Based Nepal Origin Plants Extract as Corrosion Inhibitor for Mild Steel in Bioethanol and its Blend

Katuwal

Regmi

Joshi

et al. 2020

EJCHEM

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“…Global electrophilicity index ( ω ) is one of the prime quantum chemical descriptor, which deduces the information on the stabilization of molecular system through electron donation or acceptance [40]. Organic additive with a greater value of ω has a higher electron‐donating ability to the empty metal d‐orbitals [41]. Based on the above hypothesis, PPD showed a higher value (4.316 [aq], 6.827 [gas]) than OPD (4.091 [aq], 5.449 [gas]), which suggested that PPD has more reactivity to attach onto the alloy surface, thus providing greater corrosion inhibition [42].…”

Section: Resultsmentioning

confidence: 99%

Salen type additives as corrosion mitigator for Ni–W alloys: Detailed electronic/atomic‐scale computational illustration

Uppalapati

Berisha

Velmurugan

et al. 2020

Int J of Quantum Chemistry

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It is imperative to study the long‐term corrosion problems of nickel alloys in acidic medium due to breakdown of their passive oxide film. Focus of this work is to enhance the knowledge of adsorption of organic additives ‐1‐((E)‐(2‐((E)‐(2‐hydroxynaphthalen‐1‐yl)methyleneamino)phenylimino)methyl)naphthalen‐2‐ol (OPD) and 1‐((E)‐(2‐((E)‐(2‐hydroxynaphthalen‐1‐yl)methyleneamino)phenylimino)methyl)naphthalen‐2‐ol (PPD) onto the surface of Ni–W alloy. Deducing the scenario of competitive adsorption of salen‐type symmetrical Schiff bases (OPD and PPD) as additive molecules on Ni–W alloy surface at molecular level was studied by density functional theory (DFT), Monte Carlo simulation (MC), molecular dynamics simulation (MD) and radial distribution function (RDF) analysis. Obtained intrinsic molecular parameters from DFT shows a strong conformity to the corrosion efficiencies of experimental results. From the simulation results, PPD showed the higher polarization (650.707 a.u.), higher binding energy (Ebinding = 1132.241 kJ/mol), larger negative interaction energy (Einteraction = −1132.241 kcal/mol), and negative value of adsorption energy (Eadsorption = −195.55 kcal/mol) and flat‐lying spatial orientation than that of OPD. These results suggested that the role of spacers play a vital role in the adsorption process, that is, larger spacer containing PPD has strong binding interaction and high surface area coverage with Ni–W alloy surface than shorter spacer OPD. Significant findings from DFT global descriptors, MC, MD and RDF analysis ratifies the corrosion efficiencies (PPD > OPD) of experimental outcomes, which correlates positively with the larger isomeric spacer. Overall, the present study, reports offers the corrosion resistance impact of OPD and PPD additives, revealing the fact of PPD as effective one and OPD as moderate ones for Ni–W alloys, thus validating the experimental results.

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“…In this condition, the potency of leaves of Nepal origin two plants (i.e., Catharanthus roseus (synonyms: Vinca rosea) and Vitex negundo) explored the first time for minimizing the corrosion level of the reinforced steel rebars in concrete infrastructures. Although previous works reported the effects of these two plant extracts as good anti-corrosion agents to different metals or alloys in acidic [28][29][30], neutral [31,32], and alkaline [33,34] electrolytes. Likewise, the C. roseus extracts acted as a mixed type of inhibitor for mild steel corrosion in an acidic medium due to the formation of an adsorptive film of electrostatic character [29,33].…”

Section: Introductionmentioning

confidence: 99%

“…Likewise, the C. roseus extracts acted as a mixed type of inhibitor for mild steel corrosion in an acidic medium due to the formation of an adsorptive film of electrostatic character [29,33]. Methanol extract of C. roseus leaves acted as an efficient and mixed corrosion inhibitor to the mild steel in NaCl solutions [31,32], usually due to the presence of several functional entities like hydroxyl, carbonyl groups, and fused heterocyclic compounds in the C. roseus extracts which enhanced the corrosion inhibition action. The corrosion inhibition of carbon steel in 1 M HCl containing aqueous extract of V. negundo leaves has been studied using chemical and electrochemical tests, and the results showed that the best concentration of 800 ppm of plant extract showed about 79 % of the inhibition efficiency [30].…”

Section: Introductionmentioning

confidence: 99%

Study on the effects of green-based plant extracts and water-proofers as anti-corrosion agents for steel-reinforced concrete slabs

et al. 2021

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Widespread applications of reinforced concrete structures have been practiced since the 20th century because of their excellent properties despite their early corrosion degradation. For the control of such a problem, a design strategy of corrosion-resistant environments of the reinforced concrete structures is highly desirable for extending of a lifetime. The present research work was focused to investigate the effects of the green plant extract-based inhibitors from Vitex negundo and Catharanthus roseus leaves, and one waterproofing chemical (PtS) for controlling the corrosion susceptibility of concrete rebar using a half-cell potential method following the ASTM C876-91 standard. Both plant extracts have good anti-corrosion properties, and hence could be applied as green concrete additives to increase the corrosion resistance of the steel reinforcing bars. The anti-corrosion performance of the steel rebars in concrete is remarkably higher with the additions of 1000 and 2000 ppm plant extracts than the additions of waterproofing chemicals used, based on the shifting of corrosion potential (ϕcorr.) values to a more positive direction than −126 mV (SCE). The results agreed that both the plant extracts could be promising for the formulation of effective, ecofriendly anti-corrosion additives to delay the corrosion susceptibility of the concrete infrastructures.

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Experimental and DFT studies on the ultrasonic energy-assisted extraction of the phytochemicals of Catharanthus roseus as green corrosion inhibitors for mild steel in NaCl medium

Abstract: C. roseus phytochemicals are physisorbed on the 111 Fe surface, and the oxygen non-bonding electron chemisorbed on the polarized state 111 Fe surface.

Cited by 41 publications

References 82 publications

Assessment on the Effective Green-Based Nepal Origin Plants Extract as Corrosion Inhibitor for Mild Steel in Bioethanol and its Blend

Assessment on the Effective Green-Based Nepal Origin Plants Extract as Corrosion Inhibitor for Mild Steel in Bioethanol and its Blend

Salen type additives as corrosion mitigator for Ni–W alloys: Detailed electronic/atomic‐scale computational illustration

Study on the effects of green-based plant extracts and water-proofers as anti-corrosion agents for steel-reinforced concrete slabs

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