Adsorption, Thermodynamic and Quantum Chemical Studies of 1-hexyl-3-methylimidazolium Based Ionic Liquids as Corrosion Inhibitors for Mild Steel in HCl
Abstract
:1. Introduction
2. Results and Discussion
2.1. Electrochemical Measurements
2.1.1. Potentiodynamic Polarization (PDP)
Concentration (ppm) | −Ecorr (mV) | icorr (mA/cm2) | Rp (Ohm/cm2) | βa (mV/dec) | βc (mV/dec) | %IEPDP |
---|---|---|---|---|---|---|
Blank | 480 | 9.45 | 1.04 | 123 | 184 | - |
[HMIM][BF4] | ||||||
100 | 537 | 3.89 | 4.88 | 198 | 220 | 58.84 |
200 | 498 | 2.91 | 2.13 | 101 | 141 | 69.21 |
300 | 512 | 2.52 | 2.17 | 100 | 126 | 73.33 |
400 | 516 | 2.14 | 5.79 | 160 | 178 | 77.35 |
500 | 512 | 2.06 | 2.37 | 79 | 142 | 78.20 |
[HMIM][TfO] | ||||||
100 | 527 | 5.85 | 2.13 | 162 | 178 | 38.10 |
200 | 532 | 4.13 | 2.07 | 129 | 153 | 56.30 |
300 | 538 | 3.60 | 3.62 | 161 | 186 | 61.90 |
400 | 551 | 2.82 | 6.20 | 195 | 206 | 70.16 |
500 | 497 | 1.78 | 4.94 | 114 | 178 | 81.16 |
[HMIM][PF6] | ||||||
100 | 505 | 7.36 | 1.57 | 159 | 168 | 22.12 |
200 | 484 | 4.39 | 1.84 | 114 | 164 | 53.54 |
300 | 478 | 3.75 | 1.42 | 89 | 138 | 60.32 |
400 | 502 | 3.34 | 1.74 | 81 | 165 | 64.76 |
500 | 475 | 2.50 | 4.26 | 124 | 198 | 73.54 |
[HMIM][I] | ||||||
100 | 507 | 3.86 | 3.02 | 133 | 202 | 59.15 |
200 | 477 | 3.28 | 3.88 | 145 | 117 | 65.29 |
300 | 498 | 2.62 | 5.56 | 173 | 193 | 72.38 |
400 | 502 | 2.55 | 3.82 | 118 | 190 | 73.02 |
500 | 497 | 1.94 | 3.90 | 120 | 146 | 79.47 |
2.1.2. Electrochemical Impedance Spectroscopy (EIS)
Concentration. (ppm) | RS (Ω cm2) | Cdl (µF·cm−2) | Rct (Ω cm2) | %IEEIS | ||||
---|---|---|---|---|---|---|---|---|
Blank | 1.25 | 42.10 | 63.30 | - | ||||
[HMIM][BF4] | ||||||||
100 | 1.80 | 19.12 | 146.30 | 56.70 | ||||
200 | 1.74 | 10.24 | 220.70 | 71.32 | ||||
300 | 2.19 | 9.92 | 254.40 | 75.32 | ||||
400 | 2.50 | 8.19 | 280.00 | 77.39 | ||||
500 | 2.07 | 7.01 | 294.90 | 78.54 | ||||
[HMIM][TfO] | ||||||||
100 | 1.53 | 39.20 | 105.50 | 40.00 | ||||
200 | 1.96 | 30.43 | 147.40 | 57.06 | ||||
300 | 2.01 | 22.52 | 176.10 | 64.05 | ||||
400 | 1.90 | 20.10 | 203.30 | 68.86 | ||||
500 | 1.91 | 10.60 | 314.6 | 79.88 | ||||
[HMIM][PF6] | ||||||||
100 | 2.39 | 30.02 | 79.60 | 20.48 | ||||
200 | 1.62 | 25.23 | 127.70 | 50.43 | ||||
300 | 3.20 | 16.93 | 162.70 | 61.09 | ||||
400 | 2.49 | 15.78 | 192.70 | 67.15 | ||||
500 | 2.10 | 14.29 | 222.50 | 71.55 | ||||
[HMIM][I] | ||||||||
100 | 1.71 | 14.73 | 151.60 | 58.25 | ||||
200 | 1.71 | 11.90 | 173.10 | 63.43 | ||||
300 | 1.87 | 8.35 | 216.50 | 70.76 | ||||
400 | 2.75 | 11.91 | 278.90 | 77.30 | ||||
500 | 7.95 | 5.21 | 313.50 | 79.81 |
2.2. Adsorption Isotherms
Inhibitor | Kads (103 × moL−1) | Molecular Interaction Parameter (ppm) | (kJ·moL−1) | ||||
---|---|---|---|---|---|---|---|
Potentiodynamic Polarization | |||||||
[HMIM][BF4] | 4.65 | −31.41 | |||||
[HMIM][TfO] | 1.76 | −28.96 | |||||
[HMIM][I] | 7.37 | 32.56 | |||||
[HMIM][PF6] | 4.55 | −1.65 | 31.35 | ||||
Impedance | |||||||
[HMIM][BF4] | 4.03 | −31.04 | |||||
[HMIM][TfO] | 1.73 | −28.92 | |||||
[HMIM][I] | 3.45 | −30.65 | |||||
[HMIM][PF6] | 6.06 | −1.58 | −32.07 |
2.3. Spectroscopic Analysis
2.3.1. Fourier Transform Infrared Spectroscopy (FTIR)
[HMIM][BF4] | [HMIM][TfO] | [HMIM][I] | [HMIM][PF6] a | Assignments b |
---|---|---|---|---|
628 | - | 628 | 623 | ring def (C2-H oopl bend) + N-C6 N-C7 iph str + C7H2 rock + C7-C8-C9 bend |
657 | 642 | 645 | 658 | N-C6 str + ring def (N1 and H on C2 oopl ooph departure) + C8H2 wag + N-C7-C8 bend + ring def (bend around line NN) + C8H2 rock + N-C7-C8 bend |
758 | 765 | 751 | 762 | ring C-H oopl iph bend (umbrella) |
851 | 866 | 823 | 817, 852 | C7H2 rock and chain def |
1053 | 1032 | - | 1026 | ring elongation (C3) + N-C6 str |
1085 | - | - | 1079 | chain ooph C-C str |
1170 | 1170 | 1170 | 1169 | chain ooph C-C str |
- | 1256 | - | 1257 | chain def, CH2 twi |
1343 | - | - | 1339 | chain (CH2 twi) |
1386 | - | 1386 | 1389 | ring breathing + C7H2 twi |
1465 | 1465 | 1460 | 1460 | C7H2 + C8H2 + C9H2 + C10H2 def |
1573 | 1573 | 1573 | 1570 | C12H3 def & C6H3 def |
2866 | 2866 | 2860 | 2866 | methylene CH2 str |
2939 | 2946 | 2931 | 2927, 2937 | methylene CH2 str |
- | - | 3069 | 3115 | C-H str. (ring, position 2) |
3163 | - | 3140 | 3180 | C-H str. (ring, position 4,5) |
2.3.2. Ultraviolet-visible (UV-vis) Spectroscopy
2.3.3. Quantum Chemical Calculations
ILs | Quantum Chemical Parameters | |||||
---|---|---|---|---|---|---|
Dipole Moment (Debye) | EHOMO (eV) | ELUMO (eV) | ∆E (eV) | Hardness (η) | Softness (σ) | |
[HMIM][I] | 13.36 | −4.53 | −1.36 | 3.17 | 1.58 | 0.63 |
[HMIM][TfO] | 12.80 | −6.67 | −1.49 | 5.18 | 2.59 | 0.39 |
[HMIM][BF4] | 12.58 | −8.24 | −1.37 | 6.87 | 3.44 | 0.29 |
[HMIM][PF6] | 14.26 | −8.42 | −1.54 | 6.88 | 3.44 | 0.29 |
3. Experimental Section
3.1. Materials
3.2. Inhibitors
3.3. Solutions
3.4. Electrochemical Measurements
3.5. Fourier Transform Infrared (FTIR) and Ultraviolet-Visible (UV-Vis) Spectroscopy Experiments
3.6. Quantum Chemical Calculations
4. Conclusions
- The electrochemical measurements were performed and the inhibition efficiency of the ILs studied was found to be increasing as the inhibitor concentration increased (from 100 ppm to 500 ppm).
- The %IE at 500 ppm follows the order [HMIM][TfO] > [HMIM][I] > [HMIM][BF4] > [HMIM][PF6] though the trend of inhibition strength of the studied ILs is not easy to generalize for the range of concentrations of the ILs considered in this work due to the fact that ILs and surfactants are known to undergo self-aggregation and micellization at some characteristic concentrations. Association into aggregates by ILs as well as micelle formation by surfactants are affected by a number of factors, which include alkyl chain, nature of counterions and interactions with water. Since the studied ILs have different anions, they are expected to have different critical aggregate concentration (cac) values, which could have effect on their inhibition ability.
- Mixed-type inhibition mechanism has been proposed for the studied ILs based on the results obtained from the electrochemical studies.
- Three of the ILs, 1-Hexyl-3-methylimidazolium iodide [HMIM][I], 1-Hexyl-3-methylimidazolium tetrafluoroburate [HMIM][BF4] and 1-Hexyl-3-methylimidazolium trifluoromethanesulfonate [HMIM][TfO] obeyed the Langmuir adsorption isotherm while 1-Hexyl-3-methylimidazolium hexafluorophosphate [HMIM][PF6] obeyed the Temkin adsorption isotherm.
- Adsorption parameters such as Kads and ∆G°ads were obtained from the calculations. Results showed that the adsorption process was spontaneous since ∆G°ads value was negative. The range of values of ∆G°ads suggest that the adsorption mechanism of the studied ILs features both physisorption and chemisorption.
- Fourier transform infrared (FTIR) and ultraviolet-visible (UV-vis) spectroscopy studies have been used to support the results obtained from the electrochemical technique.
- Trends in the quantum chemical parameters support the order of inhibition efficiency values obtained from the experimental data.
Acknowledgments
Author Contributions
Conflicts of Interest
References
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Mashuga, M.E.; Olasunkanmi, L.O.; Adekunle, A.S.; Yesudass, S.; Kabanda, M.M.; Ebenso, E.E. Adsorption, Thermodynamic and Quantum Chemical Studies of 1-hexyl-3-methylimidazolium Based Ionic Liquids as Corrosion Inhibitors for Mild Steel in HCl. Materials 2015, 8, 3607-3632. https://doi.org/10.3390/ma8063607
Mashuga ME, Olasunkanmi LO, Adekunle AS, Yesudass S, Kabanda MM, Ebenso EE. Adsorption, Thermodynamic and Quantum Chemical Studies of 1-hexyl-3-methylimidazolium Based Ionic Liquids as Corrosion Inhibitors for Mild Steel in HCl. Materials. 2015; 8(6):3607-3632. https://doi.org/10.3390/ma8063607
Chicago/Turabian StyleMashuga, Motsie E., Lukman O. Olasunkanmi, Abolanle S. Adekunle, Sasikumar Yesudass, Mwadham M. Kabanda, and Eno E. Ebenso. 2015. "Adsorption, Thermodynamic and Quantum Chemical Studies of 1-hexyl-3-methylimidazolium Based Ionic Liquids as Corrosion Inhibitors for Mild Steel in HCl" Materials 8, no. 6: 3607-3632. https://doi.org/10.3390/ma8063607