Table 4 Calculated inhibition efficiency % for 2-methylbenzimidazole (2-CH 3 -BI) and eight models
From: Quantum chemical assessment of benzimidazole derivatives as corrosion inhibitors
Molecules | Iadd.% | Ieadd.% | Inhibition efficiency % | |
|---|---|---|---|---|
Theoretical (Ietheor.%) | Experimental | |||
2-CH3-BI | 0 | 0 | 76.300 | 76.3 |
4-NO2-2-CH3-BI | -12.442 | -9.493 | 66.807 | ---- |
4-NH2-2-CH3-BI | +9.240 | +7.050 | 83.350 | ---- |
5-NO2-2-CH3-BI | -13.498 | -10.299 | 66.001 | ---- |
5-NH2-2-CH3-BI | +14.464 | +11.036 | 87.336 | ---- |
6-NO2-2-CH3-BI | -12.469 | -9.514 | 66.786 | ---- |
6-NH2-2-CH3-BI | +14.199 | +10.834 | 87.134 | ---- |
7-NO2-2-CH3-BI | -11.472 | -8.753 | 67.547 | ---- |
7-NH2-2-CH3-BI | +14.999 | +11.444 | 87.744 | ---- |