Adsorption and Self-Assembly of Surfactants on Metallic Surfaces

这项研究计划将采用实验技术和计算机模拟来研究表面活性剂分子在金属-水界面上的吸附和自组装，以及它们对界面电化学性质的影响。石油和天然气管道的腐蚀相关失效是一个重大的健康、安全、财务和环境问题。已知具有咪唑啉、胺和酰胺基-胺基极性基团和疏水烷基链的表面活性剂分子强烈吸附和自组装到金属表面上。这些分子可用作石油和天然气管道中的腐蚀抑制剂。有人建议，这些分子的自组装吸附膜通过从金属-水界面排斥腐蚀性物种，通过使界面疏水，或通过改变界面的电化学性质来减轻腐蚀。 电化学实验技术将被用来测量吸附后金属界面的电性能变化。实验结果，结合分子模拟，将提供一个全面的分子图像的现象。这种理解水平将是一个重要的一步，朝着改进的方法，设计更有效的缓蚀剂分子的各种application.The表面活性剂在金属表面上的吸附和自组装现象是从根本上重要的催化和电化学应用。由于金属的高极化率，金属和极性分子之间的相互作用取决于局部环境。虽然在提高我们对金属-水界面的认识方面有了令人兴奋的新进展，但我们对表面活性剂分子在金属表面上吸附的分子水平细节的理解存在重大差距。该现象的许多方面仅被模糊地理解，例如金属原子和表面活性剂分子之间的结合性质;吸附膜中的分子取向和堆积;促进自组装的因素;以及界面的电化学性质。使用实验技术，如电化学石英晶体微天平（EQCM），原子力显微镜（AFM），和频产生光谱（SFG），电化学阻抗谱（EIS）和分子模拟，研究人员试图解决这些未知的每一个在拟议的研究。除了对研究生和本科生进行跨学科研究项目的培训外，研究人员还计划在俄亥俄州的阿巴拉契亚地区开展外展活动，为这个经济落后地区的公民提供一条通过教育取得进步的途径。

The research project will employ experimental techniques and computer simulations to study the adsorption and self-assembly of surfactant molecules on metal-water interfaces, and their effect on the electrochemical nature of the interfaces. Corrosion-related failure of oil and gas pipelines is a significant health, safety, financial, and environmental problem. Surfactant molecules with imidazoline, amine and amido-amine based polar groups and hydrophobic alkyl chains are known to strongly adsorb and self-assemble onto metallic surfaces. These molecules are useful as inhibitors of corrosion in oil and gas pipelines. It is suggested that the self-assembled adsorbed films of these molecules mitigate corrosion by either repelling the corrosive species from metal-water interfaces, by rendering the interface hydrophobic, or by changing the electrochemical nature of the interface. Electrochemical experimental techniques will be employed to measure changes in electrical properties of metallic interfaces upon adsorption. The experimental results, combined with molecular simulations, will provide a comprehensive molecular picture of the phenomena. This level of understanding will be a significant step towards improving the methodologies of designing more effective corrosion inhibitor molecules for various applications.The phenomenon of adsorption and self-assembly of surfactants on metallic surfaces is fundamentally important for many catalysis and electrochemical applications. Because of high polarizability of metals, interactions between metals and polar molecules depend on the local environment. While there have been exciting new developments in improving our knowledge of metal-water interfaces, there are significant gaps in our understanding of the molecular-level details of adsorption of surfactant molecules on metallic surfaces. Many aspects of the phenomenon are only vaguely understood, such as the nature of binding between metal atoms and surfactant molecules; molecular orientation and packing in adsorbed films; factors promoting self-assembly; and the electrochemical nature of the interface. Using experimental techniques, such as electrochemical quartz crystal microbalance (EQCM), atomic force microscopy (AFM), sum frequency generation spectroscopy (SFG), electrochemical impedance spectroscopy (EIS) and molecular simulations, the investigators seek to address each of these unknowns in the proposed research. In addition to training graduate and undergraduate students on interdisciplinary research projects, the investigators plan to pursue outreach activities in the Appalachian region of Ohio to provide an avenue for the citizens of this economically disadvantaged area to advance via education.