INTERNATIONAL COLLABORATION IN CHEMISTRY: Local structures of heteroatom environments and their effects on the reactivities of alumino-and borosilicates

国际化学合作：杂原子环境的局部结构及其对铝硅酸盐和硼硅酸盐反应性的影响

• 批准号: 0924654
• 负责人: Bradley Chmelka
• 金额: $ 45万
• 依托单位: University of California-Santa Barbara
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-09-01 至 2013-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0924654&HistoricalAwards=false
• 关键词: INTERNATIONAL; COLLABORATION; CHEMISTRY; Local; structures

In this project, funded by the Experimental Physical Chemistry Program of the Division of Chemistry with support from the Office of International Science & Engineering, Professor Chmelka from University of California, Santa Barbara and his French collaborators from the Centre National de la Recherche Scientifique Laboratoire de Conditions Extrêmes et Matériaux in Orléans, seek to understand and control the molecular origins of the high activities and high selectivities of heteroatom-containing porous silicate and silica catalysts aimed at improving the energy efficiencies of chemical processes. The two groups have complementary expertises in catalyst synthesis, characterization, and spectroscopy method development. The main objectives of the project are:(i) to develop and apply new state-of-the-art methods of solid-state nuclear magnetic resonance (NMR) spectroscopy to establish the local compositions and structures at and near catalytically important aluminum and boron heteroatom moieties in nanoporous silicate and silica materials;(ii) to use the resulting insights to design and control heteroatom environments in porous silicate and silica frameworks to improve their macroscopic adsorption and reaction properties; and(iii) to educate and train students to provide strong fundamental understanding of state-of-the-art methods of NMR spectroscopy and syntheses, characterization, and properties of new catalytic materials.Local compositional and structural features, especially of framework aluminum and boron sites, are important, because they crucially influence the macroscopic adsorption and reaction properties of many catalytic materials, such as aluminosilicate zeolites that are responsible for nearly all of the world's current gasoline production. Despite their technological importance, much remains unknown at a molecular level about the origins of their activities, principally because of insufficient knowledge about the local environments at the Al and B active sites. Insights gained from solid-state NMR investigations will be correlated with macroscopic physicochemical (e.g., acidity, reactivity, adsorption) properties of the catalytic materials to obtain new molecular-level understanding of their complicated behaviors.Broader impacts of the project include the demonstration of new and general approaches for the measurement, understanding, design, and improvement of the local compositional and structural features that account for the reactivities of diverse classes of catalysts. Training of students in these areas is important, both nationally and internationally, and participation by students from underrepresented groups will be actively promoted. The collaborative and complementary efforts between the U.S. and French partners will provide cross-cultural and interdisciplinary research and education opportunities for students that will be broadly transferrable. It is expected that the insights gained from the proposed project will enable students and the broader scientific community to develop next-generation materials aimed at improving the energy-efficiency of processes and devices.

在这个项目中，由国际科学与工程办公室的支持，由加利福尼亚大学的Chmelka教授，圣塔芭芭拉大学的Chmelka教授和他的法国合作者以及他的法国合作者在这个项目中资助，来自国际科学与工程学的教授，以及他的法国合作者。硅胶和二氧化硅催化剂旨在提高化学过程的能效。这两组在催化剂合成，表征和光谱法开发方面具有完整的专业知识。该项目的主要目标是：（i）开发和应用固态核磁共振共振（NMR）光谱的新最新方法，以建立在催化性铝和硼杂质杂质部分中的局部组成和结构，以在纳米孔和硅胶材料中（II）中的孤立材料和孤立的硅酸盐；改善其宏观吸附和反应特性的框架； and(iii) to educate and train students to provide strong fundamental understanding of state-of-the-art methods of NMR spectroscopy and syntheses, characterization, and properties of new catalytic materials.Local compositional and structural features, especially of framework aluminum and boron sites, are important, because they completely influence the macroscopic adsorption and reaction properties of many catalytic materials, such as aluminumosilicate沸石几乎负责世界当前所有汽油的生产。尽管它们的技术重要性，但在分子层面上关于其活动的起源仍然未知，主要是因为对AL和B活动地点的本地环境的了解不足。 Insights gained from solid-state NMR investigations will be correlated with macroscopic physical (e.g., acidity, reactivity, addsorption) properties of the catalytic materials to obtain new molecular-level understanding of their complicated behaviors.Broader impacts of the project include the demonstration of new and general approaches for the measurement, understanding, design, and improvement of the local Compositional and structural features that account for the reactivities of divers催化剂类。在国内外，对这些领域的学生进行培训都很重要，并且将积极促进代表性不足小组的学生的参与。美国和法国合作伙伴之间的合作和互补工作将为学生提供跨文化和跨学科的研究和教育机会，这些研究和教育机会将被广泛转移。预计从拟议的项目中获得的见解将使学生和更广泛的科学界能够开发旨在提高流程和设备能源效率的下一代材料。