Quantum chemical study of the inhibition of the corrosion of mild steel in H2SO4 by some antibiotics

Eddy, Nnabuk Okon; Ibok, U. J.; Ebenso, Eno E.; Nemr, Ahmed El; Ashry, El Sayed H. El

doi:10.1007/s00894-009-0472-7

Cited by 88 publications

(49 citation statements)

References 15 publications

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“…Table 2. The result shows that the rate of corrosion of mild steel decreased as the concentration of ethanol extract of Vernonia amygdalina increased but increased with increase in temperature, while the inhibition efficiency of the extract of Vernonia amygdalina decreased with increase in temperature, indicating that the adsorption of extract of Vernonia amygdalina on mild steel surface is physical adsorption as reported by other researchers [3,[18][19][20][21].…”

Section: Effects Of Ethanol Extract Of Vernonia Amygdalina On the Corsupporting

confidence: 61%

Adsorption and Thermodynamics Study of the Inhibition of Corrosion of Mild Steel In H2SO4 Medium Using Vernonia Amygdalina

Nwabanne¹,

Okafor²

2012

JMMCE

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In this work, adsorption and thermodynamics study of the inhibition of corrosion of mild steel in H 2 SO 4 medium using Vernonia amygdalina was carried out. The inhibitive and adsorptive properties of ethanol extract of Vernonia amygdalina for the corrosion of mild steel in 0.2 M H 2 SO 4 solutions was investigated using weight loss technique. The result has proved that that the extract is a good inhibitor of corrosion of mild steel in H 2 SO 4 . The inhibition efficiencies ranged from 23.37% to 38.59% and from 22.45% to 35.78% at 303 and 323 K respectively. The inhibition efficiency of the extract decreased as temperature and time of immersion increased but increased with increase in concentration of extract. The adsorption of the inhibitor on surface of mild steel was found to be exothermic, spontaneous and consistent with the mechanism of physical adsorption as the value for heat of adsorption ranged from -2.12 to -4.87 KJ·mol -1 . The adsorption data fitted well to Langmuir, Temkin, Frumkin and Flory-Huggins adsorption isotherms.

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Section: Effects Of Ethanol Extract Of Vernonia Amygdalina On the Corsupporting

confidence: 61%

Adsorption and Thermodynamics Study of the Inhibition of Corrosion of Mild Steel In H2SO4 Medium Using Vernonia Amygdalina

Nwabanne¹,

Okafor²

2012

JMMCE

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“…Corrosion inhibitors are usually added to the acid/alkaline solution to reduce the metal loss. Recently, studies on the use of drugs have been reported by several researchers [7,8]. Some of these corrosion inhibitors are, however, toxic to the environment.…”

Section: Introductionmentioning

confidence: 99%

Inhibitory Mechanism of Carbon Steel Corrosion in Sea Water by an Aqueous Extract of Henna Leaves

Johnsirani¹,

Sathiyabama²,

Rajendran

et al. 2012

ISRN Corrosion

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The inhibition efficiency (IE) of an aqueous extract of henna leaves in controlling corrosion of carbon steel in seawater has been evaluated by weight-loss method. The weight loss study reveals that the formulation consisting of 8 mL of henna extract (HE) and 25 ppm of Zn 2+ has 94% inhibition efficiency in controlling corrosion of carbon steel in sea water. Polarization study reveals that HE and Zn 2+ system functions as mixed type inhibitor. AC impedance spectra reveal that protective film is formed on the metal surface. The nature of the metal surface has been analysed by FTIR spectra, SEM, and AFM analysis.

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“…We have also recently reported on some studies using some drugs as corrosion inhibitors in our laboratories [37][38][39][40][41].…”

Section: Introductionmentioning

confidence: 99%

Theoretical studies of some sulphonamides as corrosion inhibitors for mild steel in acidic medium

Ebenso

Arslan

Kandemi̇rlı

et al. 2010

Int J of Quantum Chemistry

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142

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Density functional theory (DFT) at the B3LYP/6-31G (d,p) and BP86/ CEP-31G* basis set levels and ab initio calculations using the RHF/6-31G (d,p) methods were performed on four sulfonamides (namely sulfaacetamide (SAM), sulfapyridine (SPY), sulfamerazine (SMR), and sulfathiazole (STI)) used as corrosion inhibitors for mild steel in acidic medium to determine the relationship between molecular structure and their inhibition efficiencies (%IE). The order of inhibition efficiency obtained was SMR > SPY > STI > SAM which corresponded with the order of most of the calculated quantum chemical parameters namely E HOMO (highest occupied molecular orbital energy), E LUMO (lowest unoccupied molecular orbital energy), the energy gap (DE), the Mulliken charges on the C, O, N, S atoms, hardness (g), softness (S), polarizability (a), dipole moment (l), total energy change (DE T ), electrophilicity (x), electron affinity (A), ionization potential (I), the absolute electronegativity (v), and the fraction of electrons transferred (DN). Quantitative structure activity relationship (QSAR) approach has been used and a correlation of the composite index of some of the quantum chemical parameters was performed to characterize the inhibition performance of the sulfonamides studied. The results showed that the %IE of the sulfonamides was closely related to some of the quantum chemical parameters but with varying degrees/order. The calculated %IE of the sulfonamides studied was found to be close to their experimental corrosion inhibition efficiencies. The experimental data obtained fits the Langmuir adsorption isotherm. The negative sign of the E HOMO values and other thermodynamic parameters obtained indicates that the data obtained supports physical adsorption mechanism.

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Quantum chemical study of the inhibition of the corrosion of mild steel in H2SO4 by some antibiotics

Cited by 88 publications

References 15 publications

Adsorption and Thermodynamics Study of the Inhibition of Corrosion of Mild Steel In H<sub>2</sub>SO<sub>4</sub> Medium Using <i>Vernonia Amygdalina</i>

Adsorption and Thermodynamics Study of the Inhibition of Corrosion of Mild Steel In H<sub>2</sub>SO<sub>4</sub> Medium Using <i>Vernonia Amygdalina</i>

Inhibitory Mechanism of Carbon Steel Corrosion in Sea Water by an Aqueous Extract of Henna Leaves

Theoretical studies of some sulphonamides as corrosion inhibitors for mild steel in acidic medium

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Quantum chemical study of the inhibition of the corrosion of mild steel in H2SO4 by some antibiotics

Cited by 88 publications

References 15 publications

Adsorption and Thermodynamics Study of the Inhibition of Corrosion of Mild Steel In H&lt;sub&gt;2&lt;/sub&gt;SO&lt;sub&gt;4&lt;/sub&gt; Medium Using &lt;i&gt;Vernonia Amygdalina&lt;/i&gt;

Adsorption and Thermodynamics Study of the Inhibition of Corrosion of Mild Steel In H&lt;sub&gt;2&lt;/sub&gt;SO&lt;sub&gt;4&lt;/sub&gt; Medium Using &lt;i&gt;Vernonia Amygdalina&lt;/i&gt;

Inhibitory Mechanism of Carbon Steel Corrosion in Sea Water by an Aqueous Extract of Henna Leaves

Theoretical studies of some sulphonamides as corrosion inhibitors for mild steel in acidic medium

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Adsorption and Thermodynamics Study of the Inhibition of Corrosion of Mild Steel In H<sub>2</sub>SO<sub>4</sub> Medium Using <i>Vernonia Amygdalina</i>

Adsorption and Thermodynamics Study of the Inhibition of Corrosion of Mild Steel In H<sub>2</sub>SO<sub>4</sub> Medium Using <i>Vernonia Amygdalina</i>