Electrochemical and Quantum Chemical Assessment of 2-Aminothiazole as Inhibitor for Carton Steel in Sulfuric Acid Solution

Corrosion is the destructive attack of metal or alloy chemically or electrochemically against its environment which leads to the loss of useful properties of materials. Several approaches have been proposed to minimize or prevent metal dissolution; one of these approaches is the use of substances called corrosion inhibitors. Inhibitors can adhere to a metal surface to form a protective barrier against corrosive agents in contact with metal. The effectiveness of an inhibitor to provide corrosion protection depends to a large extent on the interaction between the inhibitor and the metal surface. Most well-known acid inhibitors are organic compounds with π-electrons and functional groups containing heteroatoms which can donate lone-pair electrons. Clarification of the interaction between inhibitor molecules and surface metal atoms at the molecular level is important in terms of finding new and effective inhibitors. Quantum chemical calculations are proved to be a very powerful tool for studying the inhibition mechanism. Adsorption-related electronic properties, adsorption geometries and energies, charge transferred from or toward the surface or a full description of the bonding electronic structure, are useful and can be achieved by means of density function theory methodology. 2-Aminothiazole is a heterocyclic organic compound with different anchoring sites suitable for surface bonding: nitrogen atom with its lone sp electron pair, the sulfur atom, the amino Electrochemical and Quantum Chemical Assessment of 2-Aminothiazole as Inhibitor for Carton Steel in Sulfuric Acid Solution