Synthesis and Monte Carlo Modeling of Selective CO oxidation Catalysts for Fuel Cells (TSE99-A)

燃料电池选择性 CO 氧化催化剂的合成和蒙特卡罗建模 (TSE99-A)

• 批准号: 9985449
• 负责人: Erdogan Gulari
• 金额: $ 29万
• 依托单位: Regents of the University of Michigan - Ann Arbor
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2000
• 资助国家: 美国
• 起止时间: 2000-06-15 至 2003-11-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9985449&HistoricalAwards=false
• 关键词: Synthesis; Monte; Carlo; Modeling; Selective

AbstractProposal Title: Synthesis and Monte Carlo Modeling of Selective CO Oxidation Catalysts for Fuel CellsProposal Number: CTS-9985449Principal Investigator: Erdogan GulariInstitution: University of MichiganThis project addresses the problem of CO poisoning of fuel-cell electrodes. To enable successful use of fuel cells in vehicular applications, the fuel gas CO content must be reduced below 10 ppm. Novel alumina supported platinum catalysts will be used to selectively oxidize CO with oxygen. The goal is to reduce the level of CO to 2 ppm using 1% oxygen in the presence of large amounts of hydrogen. Catalysts will be prepared by the sol-gel method in which colloidal platinum nanocrystallites are incorporated into an alumina gel as the gel is forming. In addition, as second method of synthesis will permit pre-synthesized colloidal platinum crystallites to be incorporated into the alumina gel. To understand the interaction between crystallite size, metal loading, and the components of the fuel gas, a Monte Carlo model will be developed. By assigning sticking coefficients and reaction rates based on surface science results, the PIs will develop a model that predicts the experimentally observed phenomena. The model will also be used to guide catalyst design. This work could lead to improvements in fuel cells for reducing emissions in vehicles.

摘要提案标题：燃料电池用选择性CO氧化催化剂的合成与Monte Carlo模拟研究项目编号：CTS-9985449主要研究者：Erdogan Gulari研究机构： 该项目解决了燃料电池电极的CO中毒问题。 为了使燃料电池能够成功地用于车辆应用中，燃料气体CO含量必须降低到10 ppm以下。 新型氧化铝负载铂催化剂将用于选择性氧化CO与氧气。目标是在存在大量氢气的情况下使用1%的氧气将CO的水平降低到2 ppm。 催化剂将通过溶胶-凝胶法制备，其中胶体铂纳米晶在凝胶形成时被掺入氧化铝凝胶中。 此外，第二种合成方法将允许将预合成的胶体铂微晶掺入氧化铝凝胶中。 为了理解微晶尺寸、金属负载和燃料气体组分之间的相互作用，将开发蒙特卡罗模型。通过根据表面科学结果分配粘附系数和反应速率，PI将开发一个模型，预测实验观察到的现象。 该模型还将用于指导催化剂设计。 这项工作可能会导致燃料电池的改进，以减少车辆的排放。