Experimental And Computational Chemistry Simulation Studies On The Corrosion Inhibition Potentials Of Some Amino Acids

Description

Download Experimental And Computational Chemistry Simulation Studies On The Corrosion Inhibition Potentials Of Some Amino Acids. Chemistry students who are writing their projects can get this material to aid their research work.

Abstract

Inhibition and adsorption potentials of cysteine, glycine, leucine and alanine have been investigated using experimental and quantum chemical approaches.

The experimental study was carried out using gravimetric, gasometric, thermometric and FTIR methods of monitoring corrosion while the quantum chemical study was carried out using semi- empirical and ab-initio methods.

The results obtained reveal that various concentrations of the amino acids inhibited the corrosion of mild steel in solutions of hcl through the mechanism of physiosorption with activation energy less than 80kjmol^-1.

The inhibition potentials of the inhibitors decreased in the order, cysteine >leucine> alanine > glycine and their adsorption was found to be exothermic, spontaneous and fitted the Langmuir adsorption model.

Computational chemistry results obtained revealed excellent correlations between quantum chemical parameters (calculated for gas and aqueous phases PM6, PM3, AM1, RM1 and MNDO Hamiltonians) and experimental inhibition efficiencies. Correlations between the experimental and theoretical inhibition efficiencies were also excellent.

Introduction

The great expanded industrial applications of mild steel based on their properties have been recognized by many researchers (Eddy, 2008).

However, despite its importance, the problem associated with corrosion, especially pitting corrosion still remains a cause of concern to all and sundry. Huge losses of natural and artificial resources have been noted annually all over the globe as a result of corrosion.

In the petroleum and gas industries, more than half of the reported failures of pipelines are caused by corrosion and subsequent rupture of the pipe wall.

For, example, between 2002 and 2004, the Nigerian National Petroleum Corporation (NNPC) reported 162 cases of failure due to corrosion (Ajayi, 2003; Eddy, 2008) resulting in large losses of products, environmental pollution and ecological disaster.

Corrosion of metals has been a major industrial problem that has attracted much attention and investigations (Abiola et al., 2007; Arora et al., 2007. Ashassi-Sorkhabi et al., 2005a,2004;Barouni et al., 2008;Clark and Varney, 1987; Eddy, 2009a Kumar, 2008.

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