Journal ArticleDOI
Experimental and theoretical studies of the synergistic inhibition effects between the plant leaves extract (PLE) and zinc salt (ZS) in corrosion control of carbon steel in chloride solution
TLDR
In this article, the synergistic inhibition effects between green corrosion inhibitors (GCI) extracted from Nettle leaves and zinc cations in corrosion control of carbon steel specimens in 3.5-wt% NaCl solution were studied by electrochemical techniques, surface analyses, molecular dynamics simulations and electronic-structure approaches.About:
This article is published in Journal of Molecular Liquids.The article was published on 2017-12-01. It has received 111 citations till now. The article focuses on the topics: Corrosion inhibitor & Corrosion.read more
Citations
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An overview on plant extracts as environmental sustainable and green corrosion inhibitors for metals and alloys in aggressive corrosive media
TL;DR: In this article, a literature survey reveals that different extracts such as leaf, root, stem, bark, pulp, fruit, etc. have been effectively employed as sustainable inhibitors for the corrosion of different metals and alloys.
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Glycyrrhiza glabra leaves extract as a green corrosion inhibitor for mild steel in 1 M hydrochloric acid solution: Experimental, molecular dynamics, Monte Carlo and quantum mechanics study
E. Alibakhshi,Mohammad Ramezanzadeh,Ghasem Bahlakeh,Bahram Ramezanzadeh,Mohammad Mahdavian,Milad Motamedi +5 more
TL;DR: In this article, the authors investigated the inhibition of Glycyrrhiza glabra extract, commonly known as licorice, as a green source of corrosion inhibitor against mild steel corrosion in 1 1/M HCl solution.
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Utilizing Lemon Balm extract as an effective green corrosion inhibitor for mild steel in 1M HCl solution: A detailed experimental, molecular dynamics, Monte Carlo and quantum mechanics study
TL;DR: In this article, the type of functional groups in the active components present in the Lemon Balm extract (LB.E) was examined through UV-visible analysis, Fourier Transform Infrared (spectroscopy) (FT-IR) and Raman spectroscopy.
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Corrosion inhibition of mild steel in 1 M HCl solution by ethanolic extract of eco-friendly Mangifera indica (mango) leaves: Electrochemical, molecular dynamics, Monte Carlo and ab initio study
TL;DR: In this article, the mild steel corrosion inhibition in 1 1/M HCl solution containing Mangifera indica (mango) (M. indica) leaves extract was examined by electrochemical and surface studies.
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Use of Rosa canina fruit extract as a green corrosion inhibitor for mild steel in 1 M HCl solution: A complementary experimental, molecular dynamics and quantum mechanics investigation
TL;DR: Rosa canina fruit extract was utilized for mild steel corrosion inhibition in 1-M HCl solution as mentioned in this paper, and the inhibition efficiency of inhibitor was studied by electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization test.
References
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Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Density‐functional thermochemistry. III. The role of exact exchange
TL;DR: In this article, a semi-empirical exchange correlation functional with local spin density, gradient, and exact exchange terms was proposed. But this functional performed significantly better than previous functionals with gradient corrections only, and fits experimental atomization energies with an impressively small average absolute deviation of 2.4 kcal/mol.
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
TL;DR: Numerical calculations on a number of atoms, positive ions, and molecules, of both open- and closed-shell type, show that density-functional formulas for the correlation energy and correlation potential give correlation energies within a few percent.
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Self-Consistent Equations Including Exchange and Correlation Effects
Walter Kohn,L. J. Sham +1 more
TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.
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Inhomogeneous Electron Gas
P. C. Hohenberg,Walter Kohn +1 more
TL;DR: In this article, the ground state of an interacting electron gas in an external potential was investigated and it was proved that there exists a universal functional of the density, called F[n(mathrm{r})], independent of the potential of the electron gas.