Meloxicam Performances For Copper Corrosion Inhibition In 1m Hno3: Experimental And Theoretical Approaches

Ehouman Ahissan Donatien, Bamba Amara, Mariko Kalifa, Kouakou Eric, Diabate Massogbè, Sanou Ali, Kouakou Adjoumani Rodrigue, Niamien Paulin Marius
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引用次数: 2

Abstract

Copper is a metal that is widely used in many fields such as industry and construction, etc. These different industrial sectors use acid solutions such as nitric acid and hydrochloric acid, etc. The use of acid solutions in the industrial environment causes degradation of materials. In recent decades, the use of corrosion inhibitors has become very essential. The objective of our study is to test the performance of meloxicam as a copper corrosion inhibitor in a nitric acid medium. The studies were conducted using the gravimetric method and density functional theory (DFT) at B3LYP/6-311G (d,p) level of theory. The inhibitory efficiency of the molecule increases with increasing concentration of Meloxicam, but decreases with increasing temperature. The adsorption of the molecule on the copper surface follows the Villamil model. The thermodynamic quantities of adsorption and activation were determined and discussed. Quantum chemical calculations have allowed determining the molecular descriptors. There is a good agreement between the experimental and theoretical results. Electrochemical studies are envisaged.
美洛昔康在1mHno3中对铜的缓蚀性能:实验和理论方法
铜是一种广泛应用于工业和建筑等许多领域的金属。这些不同的工业部门使用硝酸和盐酸等酸性溶液。在工业环境中使用酸性溶液会导致材料降解。近几十年来,缓蚀剂的使用变得非常重要。本研究的目的是测试美洛昔康在硝酸介质中作为铜缓蚀剂的性能。采用重量法和密度泛函理论(DFT)在B3LYP/6-311G(d,p)理论水平上进行了研究。分子的抑制效率随着美洛昔康浓度的增加而增加,但随着温度的升高而降低。分子在铜表面的吸附遵循维拉米尔模型。测定并讨论了吸附和活化的热力学量。量子化学计算已经允许确定分子描述符。实验结果与理论结果有很好的一致性。设想进行电化学研究。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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