Towards Energy Sustainability: Probing the Reaction Dynamics of Alkane and Alcohol Reforming

烷烃和醇在过渡金属表面的活化动力学是弗吉尼亚大学哈里森教授实验室开展的这一研究项目的重点。在分析和表面化学计划的支持下，哈里森和他的同事正在使用喷射分子束散射方法测量从甲烷到新戊烷以及酒精小分子的离解粘着系数，作为入射气体温度和表面温度的函数。微正则单分子速率理论被用来描述所获得的数据，并发展了对控制反应动力学的相互作用能量学的理解。此外，还利用表面红外光谱和热脱附光谱对反应中间产物进行了鉴定，并对这些重要的小分子活化过程进行了机理研究。从这些测量中获得的信息对催化制氢方案的设计是有用的。通过催化活化小分子碳氢化合物和醇分子来生产氢是一项使氢经济得以实现的技术。弗吉尼亚大学的哈里森教授和他的同事们正在使用喷射分子束方法和表面分析工具来研究过渡金属表面上小分子烃和醇活化的详细机制和动力学。解离粘着系数的测量与微正则统计理论相结合，以发展对这些重要技术过程的详细理解。

The dynamics of alkane and alcohol activation on transition metal surfaces is the focus of this research project being carried out in the laboratory of Professor Harrison at the University of Virginia. With the support of the Analytical and Surface Chemistry Program, Harrison and coworkers are using effusive molecular beam scattering methods to measure the dissociative sticking coefficients of small alkane molecules, ranging from methane to neopentane, as well as small alcohol molecules, as a function of incident gas temperature and surface temperature. A microcanonical unimolecular rate theory is used to describe the data obtained, and to develop an understanding of the interaction energetics that control the reaction dynamics. In addition, surface infrared spectroscopy and thermal desorption spectroscopy are used to identify reaction intermediates and develop mechanisms for these important small molecule activation processes. Information gained from these measurements is useful for the design of catalytic hydrogen production schemes.Production of hydrogen from the catalytic activation of small hydrocarbons and alcohol molecules is an enabling technology for the hydrogen economy. Professor Harrison and coworkers at the University of Virginia are using effusive molecular beam methods coupled with surface analysis tools to investigate the detailed mechanisms and dynamics of small hydrocarbon and alcohol activation on transition metal surfaces. Measurement of dissociative sticking coefficients is combined with a microcanonical statistical theory to develop a detailed understanding of these technologically important processes.