Corrosion Inhibition Performance Of Newly Synthesized Atenolol And Propranolol

Inhibitor with economy, efficiency, applicability advantages in the corrosion protection process, is now widely used in industry. With strict limits of people’s awareness of environmental protection and environmental law, to seek a new range of highly efficient and environment-friendly corrosion inhibitor has taken more attention. In recent years, drugs as a green corrosion inhibitor have become a hot research, mainly because of its efficient and non-toxic, and minimal impact on the water environment. However, drug used as a corrosion inhibitor the high cost of, and therefore, we are mainly used the expired drugs and their by-products in corrosion inhibitors, which can either conform to the requirements of clean production while reducing the cost of expired drugs treatment.In the paper,4-[3-[(1-methylethyl)amino-2-hydroxy]propoxy]phenylacetamide(Atenolol) and1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol (Propranolol) were synthesi-zed by4-hydroxyphenylacetamide and1-naphthol, respectively. The corrosion inhibition of the two inhibitors for mild steel in acidic solution was evaluated using rotary weight loss experiment and electrochemical measurement and combined with scanning electron micro scopy(SEM), quantum chemical calculation and molecular dynamics modeling exploring the inhibition mechanism. Main achievements were listed as follows:By referring to literatures, we established the synthesis methods of Ateno1ol and Propranolol. The target products were confirmed by IR, MS and1H-NMR after these compounds were synthesized.Rotary weight loss test concluded that propranolol has better inhibition performance than atenolol under the same conditions, and both of them were all excellent inhibitors.The electrochemical results revealed the inhibition process was related to the inhibition molecules covering on the metal surface, which mainly inhibited anodic steel dissolution. The two drugs were mix-type inhibitors which mainly inhibited anodic process. Surface analysis by SEM showed the two inhibitors played a significant protective effect on metal corrosion.The inhibition performance of two corrosion inhibitors was theoretically evaluated using quantum chemical calculation and molecular dynamics simulations, and the corrosion inhibition mechanism was analyzed. Quantum chemical analysis showed that propranolol had a higher reactivity. Via analysis of Fukui index and total election density distribution, the reaction active sites of the two molecules were obtained. The result showed that the reaction active sites mainly concentrated on the aromatic ring and heteroatom atoms of O, N located on branched chain. Propranolol possessed more electrophilic attack centers than atenolol which enabled it preferable corrosion inhibition efficiency. The adsorption and film-forming behaviors of inhibitor molecules on Fe surface in aqueous environment through molecular dynamics simulations and the adsorption energy was calculated. The theoretical conclusions of the two investigated inhibitors agreed well with the experimental results.