GOALI: Studies of Acidity in Solid Acid

目标：固体酸酸度的研究

• 批准号: 9403909
• 负责人: Raymond Gorte
• 金额: $ 37万
• 依托单位: University of Pennsylvania
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1994
• 资助国家: 美国
• 起止时间: 1994-08-15 至 1997-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9403909&HistoricalAwards=false
• 关键词: GOALI; Studies; Acidity; Solid; Acid

ABSTRACT Raymond Gorte CTS-9403909 This is a study of acidity and acid-catalyzed chemistry in zeolites and other solid acids. The objectives is a predictive capability for reaction rates and selectivities. The principal approaches used include carbon-13 nuclear magnetic resonance (NMR) of carbonyl-containing molecules in zeolites to characterize site strengths, site dynamics, and site locations; microcalorimetry on zeolites with a range of potential reactants and products, with the results correlated to a proton-affinity model of the acid sites; and second-harmonic-generation (SHG) measurements of adsorbates in large single crystals to determine locations of sites in ZSM-5. The NMR work is complemented with theoretical calculations of the chemical-shift anisotropy of carbonyl-containing molecules in an acidic environment. The techniques for acid site characterization are tested with complex solid acids such as sulfonated zirconia. This is an industry-university cooperative research project between the University of Pennsylvania and the DuPont Company. The replacement of solution-phase acids with heterogeneous, solid acids in the production of chemicals offers major downstream savings to the chemical, textile, and pharmaceutical industries. Besides their economic benefits, solid acids are usually much less of an occupational safety problem than liquid acids. This study provides a conceptual/intellectual framework for selecting acids and incorporating them into process design. ***

摘要Raymond Gorte CTS-9403909 这是一个酸性和酸催化化学在沸石和其他固体酸的研究。 目标是反应速率和选择性的预测能力。 所用的主要方法包括：沸石中含羰基分子的碳-13核磁共振（NMR），以表征位点强度、位点动力学和位点位置;具有一系列潜在反应物和产物的沸石上的微量热法，其结果与酸位点的质子亲和模型相关;和二次谐波产生（SHG）测量大单晶中的吸附物以确定ZSM-5中的位点的位置。 核磁共振工作的补充与含羰基的分子在酸性环境中的化学位移各向异性的理论计算。 酸位点表征的技术进行了测试与复杂的固体酸，如磺化氧化锆。 这是宾夕法尼亚大学和杜邦公司之间的产学合作研究项目。 在化学品生产中，用非均相固体酸替代溶液相酸为化学、纺织和制药行业提供了大量下游节省。 除了它们的经济效益之外，固体酸通常比液体酸少得多的职业安全问题。 这项研究提供了一个概念/智力框架，选择酸，并将它们纳入工艺设计。 ***