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

迈向能源可持续性：探索烷烃和醇重整的反应动力学

• 批准号: 0718657
• 负责人: Ian Harrison
• 金额: $ 45万
• 依托单位: University of Virginia Main Campus
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2007
• 资助国家: 美国
• 起止时间: 2007-08-01 至 2010-11-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0718657&HistoricalAwards=false
• 关键词: Towards; Energy; Sustainability; Probing; Reaction

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.

烷烃和醇在过渡金属表面活化的动力学是弗吉尼亚大学Harrison教授实验室正在进行的这一研究项目的重点。 在分析和表面化学计划的支持下，Harrison及其同事正在使用溢出分子束散射方法来测量小烷烃分子的解离粘附系数，从甲烷到新戊烷，以及小醇分子，作为入射气体温度和表面温度的函数。 一个微正则单分子速率理论被用来描述所获得的数据，并制定一个相互作用的能量学控制的反应动力学的理解。 此外，表面红外光谱和热脱附光谱用于识别反应中间体和开发这些重要的小分子活化过程的机制。 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。通过催化活化小烃和醇分子来生产氢气是氢经济的一项使能技术。 弗吉尼亚大学的Harrison教授及其同事正在使用溢出分子束方法与表面分析工具相结合，研究过渡金属表面上小烃和醇活化的详细机制和动力学。 解离粘附系数的测量结合了微正则统计理论，以发展这些技术上重要的过程的详细了解。