Corrosion inhibitors: Correlation between chemical structure and efficiency

Conference · Mon Nov 01 04:00:00 EST 1999

OSTI ID:696891

Lukovits, I; Koszto, T ^[1]

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1. Hungarian Academy of Sciences (Hungary). Inst. of Chemistry

Corrosion inhibition efficiencies of heterocyclic aromatic or partially saturated aromatic compounds (pyrimidines, benzothiazole derivatives, amino-acids containing an aromatic part, pyridines and quinolines) were correlated with quan chemical indices of the respective molecules. Inhibition efficiencies measured in acidic solutions containing 0.001 and 0.01 mol/L of the inhibitor, respectively, were collected. The quantum chemical calculations were done by using the simple Hueckel method. Comparison of inhibition efficiencies and the differences between energies of the highest occupied and the lowest unoccupied molecular orbitals {Delta} indicated that if {Delta} is lower than 1.3 (in beta units) then the compound will not be active, whereas if {Delta} > 1.3 beta, the compound may be efficient in 0.001 mole/L concentration. The critical value of {Delta} may be lower in solution with 0.01 mole/L inhibitor concentration. Although {Delta} alone is not sufficient to account for the variation in the experimental inhibition efficiencies, the present result indicates that compounds which may be easily excited will be inefficient inhibitors because they maybe altered or decomposed after the excitation takes place.

• OSTI ID: 696891
• Report Number(s): CONF-990401--
• Country of Publication: United States
• Language: English

Related Subjects

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION
36 MATERIALS SCIENCE
AROMATICS
BENZOTHIAZOLES
CORROSION INHIBITORS
EFFICIENCY
HETEROCYCLIC COMPOUNDS
METALS
MOLECULAR STRUCTURE
PERFORMANCE
PYRIDINES
PYRIMIDINES
QUINOLINES