The way to less toxic inhibitors -- A model of the inhibition mechanism of thiourea compounds

Book · Sun Dec 01 04:00:00 EST 1996

OSTI ID:397798

Lukovits, I; Palfi, K; Bako, I; Kalman, E ^[1]

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1. Hungarian Academy of Sciences, Budapest (Hungary). Central Research Inst. for Chemistry

Interaction of corrosion inhibitors with metal surfaces in acidic solutions was modeled using a non-linear model encompassing the Langmuir adsorption isotherm. The model yielded QSAR equations with multiple correlation coefficients equal to 0.97. Most inhibitors are tested in concentrations at which the amount of adsorbed molecules is already maximal on the metal surface. Therefore a model encompassing adsorption would be most useful in OSAR studies of corrosion inhibitors. Such models have been proposed and the quality of the regression equations was markedly improved when the Free-Wilson (FW) type indices (i.e. indicator variables) were combined with an approach taking absorption into account as compared to results obtained by using a modified FW approach. The aim of the present paper was to extend the proposed model for empirical substituent constants and quantum-chemical indices.

• OSTI ID: 397798
• Report Number(s): CONF-960389--
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ADSORPTION
CARBON STEELS
CORRELATIONS
CORROSION INHIBITORS
CORROSION PROTECTION
DIFFUSION
EFFICIENCY
EXPERIMENTAL DATA
MATHEMATICAL MODELS
OXIDATION
REGRESSION ANALYSIS
SULFURIC ACID
SURFACES