State-Resolved Dynamics of Gas-Surface Reactions

气体表面反应的状态解析动力学

• 批准号: 0111446
• 负责人: Arthur Utz
• 金额: $ 33.65万
• 依托单位: Tufts University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2001
• 资助国家: 美国
• 起止时间: 2001-08-15 至 2004-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0111446&HistoricalAwards=false
• 关键词: State; Resolved; Dynamics; Gas; Surface

Dr. Arthur L. Utz of Tufts University is funded for his research on state-resolved dynamics of gas-surface reactions by the Physical Chemistry Program of the Chemistry Division. The gas-surface reaction dynamics of model reaction systems will be studied to test theoretical predictions and establish mechanistic insights into hetergeneous chemistry. Four specific areas will be examined: (1) Vibrational mode specificity in gas-surface reactivity will be examined because statistical models are inadequate. Molecular dissociation on Ni(100) (e.g., of methane) will be examined to find mode-specific dissociation probabliities in reagents and to establish predictively-useful trends. (2) Orientation, reorientation and stereochemical effects will be studied by using polarized laser light to anisotropically excite the reagent molecules. (3) Trapping-mediated reaction channels for internally excited molecules will be used to examine how internally excited molecules reactively encounter surfaces in molecular beam reflectivity experiments. (4) Bond-selective chemistry will focus on the examination of methane, trideutero-methane, and HOD dissociation on Ni(100) and the influence of vibrational mode excitation on the reaction products.Heterogeneous chemistry has a tremendous economic and technological impact in the chemical industry. The gas-surface reaction studies at Tufts University will provide means for improving our understanding of the mechanistic role of internal vibrations and internal energy on gas-surface reactions. Such reactions are commonly encountered in bulk chemical production, in pollution control devices, etc. Lasers will be used to selectively excite such internal vibrations, and their utility in controlling reaction chemistries will be extended.

亚瑟博士塔夫茨大学的乌茨因其对气体表面反应的状态分辨动力学的研究而获得化学系物理化学项目的资助。 将研究模型反应系统的气体-表面反应动力学，以测试理论预测并建立对非均相化学的机理见解。 四个具体领域将被检查：（1）振动模式的特异性，在气体表面反应性将被检查，因为统计模型是不够的。 Ni（100）上的分子解离（例如，甲烷）将被检查，以找到试剂中的模式特异性解离概率，并建立预测有用的趋势。 (2)利用偏振激光各向异性激发试剂分子，研究取向、重取向和立体化学效应。 (3)捕获介导的反应通道内激发分子将被用来检查如何内激发分子反应性遇到表面的分子束反射率实验。 (4)键选择性化学主要研究甲烷、三氘代甲烷和HOD在Ni（100）上的解离以及振动模式激发对反应产物的影响。多相化学在化学工业中具有巨大的经济和技术影响。 塔夫茨大学的气体-表面反应研究将为我们更好地理解内部振动和内能对气体-表面反应的机械作用提供手段。 这样的反应通常会遇到散装化学生产，在污染控制设备等激光将被用来选择性地激发这种内部振动，其效用在控制化学反应将得到扩展。