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Experimental and computational chemistry studies on the inhibition of the corrosion of mild steel in H2SO4 by (2s,5s,6r)-6-(2-(aminomethyl)-5-(3-(2-chlorophenyl)isoxazol-5-yl)benzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Show simple item record Nnabuk, O. Eddy Eno, E. Ebenso Udo, J. Ibok Emem, E. Akpan 2018-01-15T12:27:35Z 2018-01-15T12:27:35Z 2011 2011
dc.description.abstract Inhibition of the corrosion of mild steel in 0.1 M H2SO4 by (2S,5S,6R)-6-(2-(aminomethyl)-5-(3-(2-chlorophenyl)isoxazol-5-yl)benzamido)-3,3-dimethyl-7-oxo-4-thia-1 azabicyclo[3.2.0]heptane-2-carboxylic acid (AMPX) was studied using experimental (gravimetric, gasometric and thermometric methods) and quantum chemical methods. The results obtained from the experiments revealed that the %inhibition efficiencies at various concentrations of AMPX decrease with increase in temperature but increased with increasing concentrations. The adsorption of the inhibitor on mild steel surface is spontaneous and supported the Langmuir adsorption model. Synergistic studies between the inhibitor and potassium halides (KI, KBr and KCl) indicated that the inhibition potentials of AMPX can be enhanced through synergistic combinations with halides. Quantum chemical consideration indicated that semi empirical parameters calculated for AMPX are comparable to those of other inhibitors. Results obtained from condensed Fukui function and Huckel charge analyses indicated that the site for electrophilic attack in AMPX is in the amide nitrogen (N14). The energy of interaction and proton affinity for all possible adsorption sites in AMPX have been calculated and from the results obtained, AMPX can easily be protonated, its adsorption is downhill exothermic and preferentially favours the amide nitrogen (N14). en_US
dc.description.sponsorship National Research Foundation en_US
dc.format.extent Int. J. Electrochem. Sci., 6 (2011) 4296 - 4315 en_US
dc.format.medium PDF en_US
dc.language.iso en en_US
dc.publisher ESG en_US
dc.relation.requires Adobe Acrobat Reader en_US
dc.rights.uri en_US
dc.subject corrosion en_US
dc.subject inhibition en_US
dc.subject adsorption en_US
dc.subject fukui function en_US
dc.subject energy of interaction en_US
dc.subject protonation en_US
dc.title Experimental and computational chemistry studies on the inhibition of the corrosion of mild steel in H2SO4 by (2s,5s,6r)-6-(2-(aminomethyl)-5-(3-(2-chlorophenyl)isoxazol-5-yl)benzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid en_US
dc.type Article en_US

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