Epoxy pre-polymers as new and effective materials for corrosion inhibition of carbon steel in acidic medium: Computational and experimental studies

Present study is designed for the synthesis, characterization and corrosion inhibition behavior of two diamine aromatic epoxy pre-polymers (DAEPs) namely, N1,N1,N2,N2-tetrakis (oxiran-2-ylmethyl) benzene-1,2-diamine (DAEP1) and 4-methyl-N1,N1,N2,N2-tetrakis (oxiran-2-ylmethyl) benzene-1,2-diamine (DAEP2) for carbon steel corrosion in acidic medium. Synthesized DAEPs were characterized using spectral (Nuclear magnetic resonance (1H NMR) and Fourier transform infrared-attenuated total reflection (FTIR-ATR)) techniques. Viscosity studies carried out at four different temperatures (20–80 °C) increase in temperature causes significant reduction in their viscosities. The anticorrosive properties of DAEPs differing in the nature of substituents, for carbon steel corrosion in 1 M HCl solution was evaluated using several experimental and computational techniques. Both experimental and computational studies showed that inhibitor (DAEP2) that contains electron releasing methyl (-CH3) showed higher protectiveness as compared to the inhibitor (DAEP1) without substituent (-H). Electrochemical results demonstrate that DAEPs act as reasonably good inhibitors for carbon steel in 1 M HCl medium and their effectiveness followed the sequence: DAEP2 (92.9%) > DAEP1 (91.7%). The PDP results show that the diamine aromatic epoxy pre-polymers molecules (DAEPs) act as mixed type inhibitors. Electrochemical study was also supported using scanning electron microscopy (SEM) method were significant improvement in the surface morphology of inhibited (by DAEPs) metallic specimens was obtained. Results derived from computational density functional theory (DFT) and molecular dynamics (MD) simulationsand studies were consistent with the experimental results derived from SEM, EIS and PDP electrochemical studies. Adsorption of the DAEPs obeyed the Langmuir adsorption isotherm model.

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Practical and Theoretical Study on the Inhibitory Influences of New Azomethine Derivatives Containing an 8-Hydroxyquinoline Moiety for the Corrosion of Carbon Steel in 1 M HCl

Oriental Journal Of Chemistry ◽

10.13005/ojc/340643 ◽

2018 ◽

Vol 34 (6) ◽

pp. 3016-3029 ◽

Cited By ~ 7

Author(s):

A. El-Yaktini ◽

A. Lachiri ◽

M. El-Faydy ◽

F. Benhiba ◽

H. Zarrok ◽

...

Keyword(s):

Carbon Steel ◽

Density Functional ◽

Electrochemical Impedance ◽

Density Functional Theory Method ◽

Steel Corrosion ◽

Experimental Results ◽

Chemical Parameters ◽

Functional Theory ◽

The Density Functional Theory ◽

Inhibition Ability

The inhibition ability of a new Azomethine derivatives containing the 8-hydroxyquinoline (BDHQ and MDHQ) towards carbon steel corrosion in HCl solution was studied at various concentrations and temperatures using weight loss, polarization curves and electrochemical impedance spectroscopy (EIS) methods. The experimental results reveal that BDHQ and MDHQ are efficient mixed type corrosion inhibitors, and their inhibition efficiencies increase with increasing concentration. The adsorption of these inhibitors on mild steel surface obeys Langmuir isotherm. Quantum chemical parameters are calculated using the Density Functional Theory method (DFT) and Monte Carlo simulations. Correlation between theoretical and experimental results is discussed.

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New Aromatic Azo-Schiff as Carbon Steel Corrosion Inhibitor in 1 M H2SO4

Oriental Journal Of Chemistry ◽

10.13005/ojc/340532 ◽

2018 ◽

Vol 34 (5) ◽

pp. 2471-2476 ◽

Cited By ~ 1

Author(s):

Hamida Edan Salman ◽

Asim A. Balakit ◽

Ali Ahmed Abdulridha

Keyword(s):

Weight Loss ◽

Carbon Steel ◽

Corrosion Inhibitor ◽

Corrosion Inhibition ◽

Potentiodynamic Polarization ◽

Inhibition Efficiency ◽

Steel Corrosion ◽

Spectroscopic Techniques ◽

Different Temperatures ◽

Corrosion Inhibition Efficiency

A new aromatic Schiff base with azo linkage (AS) has been synthesized and characterized by FT-IR, 1H NMR and 13C NMR spectroscopic techniques. The new compound (AS) has been evaluated as carbon steel corrosion inhibitor at different concentrations (0.005, 0.01, 0.02, 0.04 and 0.08 mM) and different temperatures (303 – 333 K). The corrosion inhibition efficiency was studied by potentiodynamic polarization and weight loss measurements. The effects of concentration and temperature on the inhibition efficiency were studied by potentiodynamic polarization studies, the results showed that increasing concentration of AS increases the inhibition efficiency while increasing the temperature decreases it, the highest corrosion inhibition efficiency, 93.9% was recorded with 0.08 mM of AS at 313 K in 1 M H2SO4. Weight loss measurements showed that the inhibition efficiency reached 97.1% in the presence of AS (0.08 mM) at 313 K. The adsorption process was found to obey Langmuir isotherm, and the adsorption thermodynamic parameters were studied. Scanning electron microscope (SEM) was used to confirm the results.

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Theoretical studies on the corrosion inhibition performance of three amine derivatives on carbon steel: Molecular dynamics simulation and density functional theory approaches

Journal of the Taiwan Institute of Chemical Engineers ◽

10.1016/j.jtice.2016.02.010 ◽

2016 ◽

Vol 62 ◽

pp. 313-321 ◽

Cited By ~ 39

Author(s):

Mehdi Shahraki ◽

Maryam Dehdab ◽

Shirin Elmi

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Molecular Dynamics Simulation ◽

Carbon Steel ◽

Corrosion Inhibition ◽

Density Functional ◽

Dynamics Simulation ◽

Theoretical Studies ◽

Functional Theory ◽

Inhibition Performance

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DFT Calculations and Experimental Study to Inhibit Carbon Steel Corrosion in Saline Solution by Quinoline-2-One Derivative

Baghdad Science Journal ◽

10.21123/bsj.2021.18.1.0113 ◽

2021 ◽

Vol 18 (1) ◽

pp. 0113

Author(s):

Rehab Majid Kubba ◽

Mustafa Alaa Mohammed ◽

Luma S. Ahamed

Keyword(s):

Carbon Steel ◽

Density Functional ◽

Adsorption Mechanism ◽

Saline Solution ◽

Physical Adsorption ◽

Steel Corrosion ◽

Equilibrium Geometry ◽

Functional Theory ◽

Carbon Steel Surface ◽

Chemical Inhibition

A theoretical and protection study was conducted of the corrosion behavior of carbon steel surface with different concentrations of the derivative (Quinolin-2-one), namly (1-Amino-4,7-dimethyl-6-nitro-1H-quinolin-2-one (ADNQ2O)). Theoretically, Density Functional Theory (DFT) of B3LYP/ 6-311++G (2d, 2p) level was used to calculate the optimized geometry, physical properties and chemical inhibition parameters, with the local reactivity to predict both the reactive centers and to locate the possible sites of nucleophilic and electrophilic attacks, in vacuum, and in two solvents (DMSO and H2O), all at the equilibrium geometry. Experimentally, the inhibition efficiencies (%IE) in the saline solution (of 3.5%) NaCl were studied using potentiometric polarization measurements. The results revealed that the (%IE) for carbon steel corrosion by ADNQ2O is (89.88%). The obtained thermodynamic parameters support the physical adsorption mechanism. The adsorption followed the Langmuir isotherm. The surface change on carbon steel was studied using SEM (Scanning Electron Microscopy).

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Epoxy pre-polymers as new and effective materials for corrosion inhibition of carbon steel in acidic medium: Computational and experimental studies

Scientific Reports ◽

10.1038/s41598-019-48284-0 ◽

2019 ◽

Vol 9 (1) ◽

Cited By ~ 21

Author(s):

Omar Dagdag ◽

Zaki Safi ◽

Rachid Hsissou ◽

Hamid Erramli ◽

Mehdi El Bouchti ◽

...

Keyword(s):

Carbon Steel ◽

Corrosion Inhibition ◽

Acidic Medium ◽

Experimental Studies

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Adsorption and anticorrosive behavior of aromatic epoxy monomers on carbon steel corrosion in acidic solution: computational studies and sustained experimental studies

RSC Advances ◽

10.1039/c9ra01672d ◽

2019 ◽

Vol 9 (26) ◽

pp. 14782-14796 ◽

Cited By ~ 17

Author(s):

Omar Dagdag ◽

Zaki Safi ◽

Hamid Erramli ◽

Omar Cherkaoui ◽

Nuha Wazzan ◽

...

Keyword(s):

Carbon Steel ◽

Corrosion Inhibition ◽

Acidic Solution ◽

Experimental Studies ◽

Steel Corrosion ◽

Experimental Techniques ◽

Computational Studies ◽

Hcl Solution

Herein, the synthesis, characterization and corrosion inhibition effectiveness of two aromatic epoxy monomers (AEMs) in carbon steel corrosive dissolution in 1 M HCl solution was investigated using computational and experimental techniques.

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Synthesis, Identification, Theoretical and Experimental Studies of Carbon Steel Corrosion Inhibition in Sea Water by Some New Diazine Derivatives linked to 5-Nitro Isatin Moiety

Iraqi Journal of Science ◽

10.24996/ijs.2018.59.3b.2 ◽

2018 ◽

Vol 59 (3B) ◽

Keyword(s):

Carbon Steel ◽

Corrosion Inhibition ◽

Sea Water ◽

Experimental Studies ◽

Steel Corrosion

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Corrosion Inhibition of Copper by Capparis spinosa L. Extract in Strong Acidic Medium: Experimental and Density Functional Theory

International Journal of Electrochemical Science ◽

10.20964/2017.06.47 ◽

2017 ◽

pp. 4664-4676 ◽

Cited By ~ 5

Author(s):

Fadel Wedian ◽

Keyword(s):

Density Functional Theory ◽

Corrosion Inhibition ◽

Acidic Medium ◽

Density Functional ◽

Functional Theory ◽

Capparis Spinosa

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Electrochemical and Density Functional Theory Studies of Alkyl Imidazoline on the Corrosion Inhibition of Carbon Steel in Sulfamic Acid Solutions

Science of Advanced Materials ◽

10.1166/sam.2020.3730 ◽

2020 ◽

Vol 12 (6) ◽

pp. 784-794

Author(s):

Yitong Tan ◽

Yaqiong Chen ◽

Dong Yang ◽

Xinxin Liu ◽

Xinzhou Li ◽

...

Keyword(s):

Density Functional Theory ◽

Carbon Steel ◽

Corrosion Inhibition ◽

Density Functional ◽

Sulfamic Acid ◽

Electrochemical Methods ◽

Acid Solutions ◽

Dft Studies ◽

Functional Theory ◽

Loss Of Weight

The corrosion inhibition effects of the 2-undecyl-N-carboxymethyl-N-hydroxyethyl imidazoline on simple steels were indagated in 8 wt.% NH2SO3H media using loss of weight and electrochemical methods in conjunction with adsorption and DFT researches. The anti-corrosion effect of UHCI acquired from EIS study is great and the maximum anti-corrosion efficiency could reach 90.15%. The sorption of UHCI on simple steel conforms to the Langmuir sorption equation. The DFT studies reveal that UHCI is firmly chemisorbed upon the simple steel by the Fe…O σ-type dative bonds and isolates the contact between simple steel and NH2SO3H, thus protecting simple steel from the corrosion of NH2SO3H.

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