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Publication Details
AFRICAN RESEARCH NEXUS
SHINING A SPOTLIGHT ON AFRICAN RESEARCH
chemical engineering
Monitoring corrosion and corrosion control of iron in HCl by non-ionic surfactants of the TRITON-X series - Part III. Immersion time effects and theoretical studies
Corrosion Science, Volume 53, No. 5, Year 2011
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Description
The inhibition performance of three selected non-ionic surfactants of the TRITON-X series, namely TRITONX-100 (TX-100), TRITON-X-165 (TX-165) and TRITON-X-305 (TX-305), on the corrosion of iron was studied in 1.0M HCl solutions as a function of inhibitor concentration (0.01-0.20gL-1) and immersion time (0.0-8h) at 298K. Measurements were conducted based on Tafel polarization, LPR and impedance studies. At high frequencies, the impedance spectrum showed a depressed capacitive loop in the complex impedance plane, whose diameter is a function of the immersion time and the type and concentration of the introduced surfactant. In all cases, an inductive loop was observed in the low frequency and this could be attributed to the adsorption behavior. The inhibition efficiency increased with immersion time, reached a maximum and then decreased. This was attributed to the orientation change of adsorbed surfactant molecules. TX-305 inhibited iron corrosion more effectively than TX-100 and TX-165. The frontier orbital energies, the energy gap between frontier orbitals, dipole moments (μ), charges on the C and O atoms, the polarizabilities, and the quantum chemical descriptors were calculated. The quantum chemical calculation results inferred that for the HOMO representing the condensed Fukui function for an electrophilic attack (fk+), the contributions belong to the phenyl group and the oxygen atom attached to the phenyl group for each tested surfactant. Quantitative structure-activity relationship (QSAR) approach has also been used and a correlation of the composite index having some of the quantum chemical parameters with average inhibition efficiencies (Iav.(%)) was conducted to determine the inhibition performance of the tested surfactant molecules. The results showed that the values of Iav.(%) of the tested inhibitor molecules were closely related to some of the quantum chemical parameters. The calculated Iav.(%) values were found to be close to the experimental ones. Based on the values of coefficients of correlations at 0.02 level concentration, B3LYP/3-21G* method outpaced the other two methods namely B3LYP/6-31G and RHF/6-31G*. The relationship between Iav.(%) and composite index is accounted for by B3LYP/3-21G*. © 2011 Elsevier Ltd.
Authors & Co-Authors
Amin, Mohammed Ashaari
Saudi Arabia, Taif
Taif University
Egypt, Cairo
College of Science
Ahmed, Mona A.
Saudi Arabia, Taif
Taif University
Arida, Hassan
Saudi Arabia, Taif
Taif University
Kandemirli, Fatma
Turkey, Niğde
Nigde Omer Halisdemir University
Saraçoǧlu, Murat
Turkey, Kayseri
Erciyes Üniversitesi
Arslan, Taner
Turkey, Eskisehir
Eskişehir Osmangazi Üniversitesi
Başaran, Murat Alper
Turkey, Niğde
Nigde Omer Halisdemir University
Statistics
Citations: 108
Authors: 7
Affiliations: 5
Identifiers
Doi:
10.1016/j.corsci.2011.02.007
ISSN:
0010938X
Study Design
Exploratory Study
Study Approach
Qualitative
Quantitative