Xin Guo , Bingxiao Shi , Zhongheng Fu , Guowei Yang , Yiran Li , Luntao Wang , Lin Lu , Lingwei Ma , Dawei Zhang
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引用次数: 0
Abstract
Molecular simulations are essential for understanding the corrosion inhibition mechanisms of organic corrosion inhibitors. However, traditional models often focus on ideal metal surfaces, differing from the complex conditions in real environments. In this work, we constructed defective copper/water interfaces to study imidazole adsorption behaviors and to clarify the interactions among imidazole, copper, and water molecules. We found that the adsorption kinetics of imidazole at the defect sites does not correlate with its adsorption stability clearly, due to its competitive adsorption with water molecules. These findings enhance understanding of imidazole adsorption on copper and are important for designing corrosion inhibitors.
期刊介绍：
Corrosion occurrence and its practical control encompass a vast array of scientific knowledge. Corrosion Science endeavors to serve as the conduit for the exchange of ideas, developments, and research across all facets of this field, encompassing both metallic and non-metallic corrosion. The scope of this international journal is broad and inclusive. Published papers span from highly theoretical inquiries to essentially practical applications, covering diverse areas such as high-temperature oxidation, passivity, anodic oxidation, biochemical corrosion, stress corrosion cracking, and corrosion control mechanisms and methodologies.
This journal publishes original papers and critical reviews across the spectrum of pure and applied corrosion, material degradation, and surface science and engineering. It serves as a crucial link connecting metallurgists, materials scientists, and researchers investigating corrosion and degradation phenomena. Join us in advancing knowledge and understanding in the vital field of corrosion science.
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