Density Functional Theory (DFT) at the B3LYP/6-311G basis set level was performed on six new substituted Schiff base derivatives of PINH [(phenylallylidene) isonicotinohydrazide], The calculated quantum chemical parameters correlated to the inhibition efficiency are EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), the energy gap [ΔE(HOMO-LUMO)], hardness (η), softness (S), dipole moment (μ), electron affinity (EA), ionization potential (IE), the absolute electronegativity (χ), Global electrophilicity index ( ) and the fraction of electron transferred (ΔN), all have discussed at their equilibrium geometry and their correct symmetry (Cs). Comparisons of the order of inhibition effi

    The use of varied quantities of orphenadrine to protect stainless steel against corrosion in an acidic media at 298 K has been investigated. It was observed that when the drug's concentration is increased, the drug's speed of corrosion lowers. The data of inhibition efficiency (percent IE) in the presence of orphenadrine drug and corrosion resistance showed that the highest protection efficiency was achieved with the best concentration, and that the corrosion rate decreased with increasing orphenadrine drug concentrations, making it a good inhibitor for stainless steel in an acidic environment. The theoretical investigation proved the efficiency of the drug for inhibition, as the drug is absorbed on the surface of the stainless st

The corrosion behavior of Zn in 0.1 M HCl solution containing various concentration of Ampicillin range (2 x 10-4 – 1x10-3) M was investigated. The corrosion rates were measured by using weight loss measurement and polarization curve, The results of polarization method obtained showed that the rate of corrosion of zinc increased with increasing the temperature from 293K to 323K and the values of inhibition efficiency of ampicillin increased with increasing the temperature and AMP concentrations, the results showed that AMP caused to protection efficiency reached to 88.8% when (1x10-3) M AMP concentration was used in 323K. The coverage (θ) of metal surface by AMP could be obtained from the rate of corrosion in the presence and absence

Taguchi experimental design (TED) is applied to find the optimum effectiveness of aqueous Red Pomegranate Peel (RPP) extract as a green inhibitor for the corrosion of mild steel in 2M H₃PO₄ solution. The Taguchi methodology has been used to study the effects of changing, temperature, RPP concentration and contact period, at three levels. Weight-loss measurements were designed by construction a L₉ orthogonal arrangement of experiments.   Results of the efficiencies of inhibition were embraced for the signal to noise proportion & investigation of variance (ANOVA).  The results were further processed with a MINITAB-17 software package to find the optimal condition

A newly derivative of oxazolidin-5- one namely [2-(2-biphenyl-4-yl-imidazo [1,2-a] pyridine-3-yl)-3-(4-nitro-phenyl)-oxazolidin-5-one (BIPNO5)] was examined as an corrosion inhibitor for carbon steel surface. Quantum mechanical method of Density Functional Theory (DFT) with (B3LYP (6-311++G (2d, 2p)) level of theory was used to calculate the minimize structure, physical properties and inhibition chemical parameters, in vacuum and two solvents (DMSO and H₂O), all at equilibrium geometry. The results indicated that the new derivative could adsorb on the surface of carbon steel through the heteroatom, showing that the new inhibitor has good corrosion inhibition performance.

The inhibitive action of pomegranate peel as a plant source the corrosion of carbon-steel in phosphoric acid solutions was studied using the weight-loss method. Organic compounds present in natural materials are successfully used to reduce the rate of corrosion because they are cheap, renewable and effective. The results showed that the inhibition potency was enhanced with increasing increasing the amount of the inhibitor and the immersion time but it decreased with the increase of the concentration of the acid solution. The results also revealed a gradual increase in the corrosion rate with the increase of temperature, while the corrosion protection efficiency and surface coverage decreased.

PM3 and DFT quantum mechanical calculations were employed to give further
insight into the inhibition efficiency of the newly prepared cefotaxime amic acid
derivative. The calculated physical properties and quantum chemical parameters
correlated to the inhibition efficiency such as EHOMO (highest occupied molecular
orbital energy), ELUMO (lowest unoccupied molecular orbital energy), the energy gap
(ΔE(HOMO-LUMO)), hardness (η), softness (S), dipole moment (μ), electron affinity
(EA), ionization potential (IE) and active site absorption..…etc., all studied and
discussed at equilibrium geometry in the gas phase and at its right symmetry (C1).
Experimentally the newly prepared cefotaxime derivative could be abso

In this work the study mainly investigated the inhibition behavior, and the adsorption properties of different concentrations of an aqueous extraction of thyme plant range (5-20) ppm at the temperature range (288-318) K for corrosion of dental amalgam in artificial saliva, by applying electrochemical method. The result showed good inhibitive action for all thyme extract concentration with slight decreases by increasing temperature. The physisorption for thyme extract compound on the surface of dental amalgam obeys Langmuir isotherm. The kinetic parameter for corrosion process and thermodynamic data for adsorption process has been calculated.

The inhibitor property of curcuma longa L. extract in different concentrations of simulated refinery wastewater (0.05% - 2% wt) and at various temperatures (30, 35 and 40 ˚C) was investigated using weight loss method. The results showed that the presence of about 1.2 % (v/v) of curcuma extract gave about 84% inhibition indicating its effectiveness on mild steel corrosion in simulated refinery wastewater, besides the adsorption process on the mild steal surface obeyed the Langmuir adsorption isotherm.