Correlating Experimental with Theoretical Studies for a New Ionic Liquid for Inhibiting Corrosion of Carbon Steel during Oil Well Acidification
Abstract
:1. Introduction
2. Experimental
2.1. Materials
2.2. Weight Loss Measurements
2.3. Electrochemical Investigation
2.4. Theoretical Calculations
2.5. Surface Analysis
3. Result and Discussion
3.1. Electrochemical Impedance Spectroscopy (EIS)
3.2. Potentiodynamic Polarization Study
3.3. Weight-Loss Measurements
3.4. Adsorption Isotherms Study
3.5. Theoretical Studies
3.5.1. DFT Calculations
3.5.2. Molecular Dynamic Simulation (MDS)
3.6. Surface Characterization
3.6.1. Scanning Electron Microscopy (SEM) Measurements
3.6.2. Atomic Force Microscopy (AFM) Measurements
3.7. Comparison with Previous Studies
4. Conclusions
Author Contributions
Funding
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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ILB Conc. (M) | Rs (Ω cm2) | Y0 × 10−4 (Ω−1sn cm−2) | n | Rct (Ω cm2) | ηEIS (%) |
---|---|---|---|---|---|
0 | 0.8 | 1.85 | 0.79 | 6 | – |
1 × 10−5 | 1.3 | 6.47 | 0.82 | 14 | 57.1 |
5 × 10−5 | 1.8 | 5.66 | 0.86 | 36 | 83.3 |
1 × 10−4 | 2.0 | 3.72 | 0.87 | 89 | 93.3 |
5 × 10−4 | 1.9 | 4.65 | 0.88 | 131 | 95.4 |
1 × 10−3 | 2.1 | 5.32 | 0.89 | 280 | 97.9 |
ILB Conc. (M) | −Ecorr (mV) | icorr (mA.cm−2) | βa (mV dec−1) | −βc (mV dec−1) | ηPDP (%) |
---|---|---|---|---|---|
0 | 0.494 | 3.662 | 112 | 135 | – |
1 × 10−5 | 0.489 | 1.524 | 109 | 131 | 58.4 |
5 × 10−5 | 0.499 | 0.641 | 108 | 126 | 82.5 |
1 × 10−4 | 0.509 | 0.253 | 105 | 121 | 93.1 |
5 × 10−4 | 0.496 | 0.176 | 101 | 118 | 95.2 |
1 × 10−3 | 0.493 | 0.099 | 99 | 115 | 97.3 |
ILB Conc. (M) | CR (mg cm−2 h−1) | θ | ηWL (%) |
---|---|---|---|
0 | 14.2 | – | – |
1 × 10−5 | 6.7 | 0.526 | 52.6 |
5 × 10−5 | 2.2 | 0.842 | 84.2 |
1 × 10−4 | 1.2 | 0.914 | 91.4 |
5 × 10−4 | 1.0 | 0.927 | 92.7 |
1 × 10−3 | 0.9 | 0.935 | 93.5 |
Theoretical Parameters | ILB |
---|---|
EHOMO (eV) | −5.606 |
ELUMO (eV) | −1.930 |
ΔE (eV) | 3.676 |
Ionization (I) (eV) | 5.606 |
Affinity (A) (eV) | 1.930 |
Absolute electronegativity (χ) (eV) | 3.768 |
Global hardness (η) (eV) | 1.838 |
Softness (σ) | 0.544 |
ΔN | 0.879 |
Inhibitors | Medium | Conc. (M) | η (%) | Ref. |
---|---|---|---|---|
1-hexyl-3-methylimidazolium bis(trifluoromethyl-sulfonyl) imide | 1 M HCl | 3 × 10−4 | 70.2 | [57] |
N-triethyl methylammonium acetate | 70.4 | [58] | ||
1-Vinyl-3-butylimidazolium Bromide | 1 M H2SO4 | 85.4 | [59] | |
1-Vinyl-3-octadecylimidazolium Bromide | 90.1 | |||
1-Vinyl-3-docosylimidazolium Bromide | 83.2 | |||
1-Vinyl-3-dodecylimidazolium Bromide | 94.4 | |||
ILB | 15% HCl | 97.5 |
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Toghan, A.; Fawzy, A.; Alakhras, A.I.; Sanad, M.M.S.; Khairy, M.; Farag, A.A. Correlating Experimental with Theoretical Studies for a New Ionic Liquid for Inhibiting Corrosion of Carbon Steel during Oil Well Acidification. Metals 2023, 13, 862. https://doi.org/10.3390/met13050862
Toghan A, Fawzy A, Alakhras AI, Sanad MMS, Khairy M, Farag AA. Correlating Experimental with Theoretical Studies for a New Ionic Liquid for Inhibiting Corrosion of Carbon Steel during Oil Well Acidification. Metals. 2023; 13(5):862. https://doi.org/10.3390/met13050862
Chicago/Turabian StyleToghan, Arafat, Ahmed Fawzy, Abbas I. Alakhras, Moustafa M. S. Sanad, M. Khairy, and Ahmed A. Farag. 2023. "Correlating Experimental with Theoretical Studies for a New Ionic Liquid for Inhibiting Corrosion of Carbon Steel during Oil Well Acidification" Metals 13, no. 5: 862. https://doi.org/10.3390/met13050862