Inhibition Effects of a Synthesized Novel 4-Aminoantipyrine Derivative on the Corrosion of Mild Steel in Hydrochloric Acid Solution together with Quantum Chemical Studies
Abstract
:1. Introduction
2. Results and Discussion
2.1. Chemistry
2.2. Electrochemical
Electrochemical Impedance Spectroscopy (EIS) Measurements
2.3. Polarization Measurements
2.3.1. Open Circuit Potential (OCP) Measurements
2.3.2. Electrochemical Frequency Modulation Measurement
2.3.3. Quantum Chemical Calculations
3. Experimental Section
3.1. Synthesis of Corrosion Inhibitor DMPO
3.2. Electrochemical Measurements
3.3. Theory and Computational Detail
4. Conclusions
Acknowledgments
Conflict of Interest
References
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Conc., 1 × 10−3M | Rs, ohm cm2 | Rct, ohm cm2 | CPEdl (Y0X10−5), ohm−1cm−2Sn | IE (%) |
---|---|---|---|---|
0 | – | 77 | – | 0 |
0.1 | 1.55 | 239 | 39.4 | 71.08 |
0.2 | 1.56 | 259 | 22.2 | 70 |
0.3 | 1.63 | 328 | 17.7 | 77 |
0.5 | 1.73 | 376 | 23.3 | 80 |
Conc., 1 × 10−3M | icorr (μA cm−2) | −Ecorr (mV vs. SCE) | βa (V dec−1) | βc (V dec−1) | IE% |
---|---|---|---|---|---|
0 | 298 | 504 | 0.119 | 0.121 | 0 |
0.1 | 60 | 505 | 0.07 | 0.10 | 79.860 |
0.2 | 49 | 500 | 0.06 | 0.10 | 83.550 |
0.3 | 40.5 | 492 | 0.06 | 0.11 | 86.410 |
0.5 | 39.6 | 479 | 0.06 | 0.12 | 87.700 |
Conc, mM | icorr, (μA·cm−2) | βa, (V·dec−1) | βc, (V·dec−1) | CR mmpy | IE (%) |
---|---|---|---|---|---|
0 | 189.8 | 24.26e-3 | 27.00e-3 | 4.89 | 0 |
0.1 | 501.9 | 96.88e-3 | 152.5e-3 | 1.295 | 80 |
0.2 | 478.5 | 66.90e-3 | 173.2e-3 | 1.234 | 83 |
0.3 | 388.1 | 105.4e-3 | 152.4e-3 | 1.001 | 86 |
0.5 | 301.6 | 106.9e-3 | 120.8e-3 | 0.777 | 87 |
Comp. | HOMO eV | LUMO eV | Band gap | Dipole moment | Total Energy | Conc. (mM) | IEExp% | IETheo% |
---|---|---|---|---|---|---|---|---|
DMPO | −8.051 | −1.593 | −6.458 | 1.4655 | 54.2342 Kcal/Mol | 0.1 | 80 | 67.30 |
−8.051 | −1.593 | −6.458 | 1.4655 | 54.2342 Kcal/Mol | 0.5 | 87 | 84.26 |
Atom | Charge | Atom | Charge | Atom | Charge | Atom | Charge |
---|---|---|---|---|---|---|---|
C(1) | −0.1893 | C(11) | 0.3262 | C(21) | −0.1205 | H(31) | 0.1352 |
C(2) | −0.0376 | O(12) | −0.2802 | C(22) | −0.1268 | H(32) | 0.0969 |
C(3) | −0.1087 | N(13) | −0.1996 | C(23) | −0.1147 | H(33) | 0.1058 |
C(4) | −0.1179 | O(14) | −0.1130 | N(24) | −0.1022 | H(34) | 0.0774 |
C(5) | −0.1377 | C(15) | −0.1202 | H(25) | 0.0865 | H(35) | 0.1126 |
C(6) | −0.1181 | C(16) | 0.0037 | H(26) | 0.0922 | H(36) | 0.0946 |
C(7) | −0.1366 | C(17) | −0.1875 | H(27) | 0.0972 | H(37) | 0.1073 |
C(8) | −0.0139 | C(18) | 0.0272 | H(28) | 0.1370 | H(38) | 0.1420 |
H(9) | 0.1550 | C(19) | −0.1048 | H(29) | 0.1351 | H(39) | 0.1344 |
C(10) | −0.1499 | C(20) | −0.1332 | H(30) | 0.1344 | H(40) | 0.1341 |
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Junaedi, S.; Al-Amiery, A.A.; Kadihum, A.; Kadhum, A.A.H.; Mohamad, A.B. Inhibition Effects of a Synthesized Novel 4-Aminoantipyrine Derivative on the Corrosion of Mild Steel in Hydrochloric Acid Solution together with Quantum Chemical Studies. Int. J. Mol. Sci. 2013, 14, 11915-11928. https://doi.org/10.3390/ijms140611915
Junaedi S, Al-Amiery AA, Kadihum A, Kadhum AAH, Mohamad AB. Inhibition Effects of a Synthesized Novel 4-Aminoantipyrine Derivative on the Corrosion of Mild Steel in Hydrochloric Acid Solution together with Quantum Chemical Studies. International Journal of Molecular Sciences. 2013; 14(6):11915-11928. https://doi.org/10.3390/ijms140611915
Chicago/Turabian StyleJunaedi, Sutiana, Ahmed A. Al-Amiery, Abdulhadi Kadihum, Abdul Amir H. Kadhum, and Abu Bakar Mohamad. 2013. "Inhibition Effects of a Synthesized Novel 4-Aminoantipyrine Derivative on the Corrosion of Mild Steel in Hydrochloric Acid Solution together with Quantum Chemical Studies" International Journal of Molecular Sciences 14, no. 6: 11915-11928. https://doi.org/10.3390/ijms140611915