Natural Abundance Si-29 and O-17 NMR Methods for Measuring Silicate Glass Structure
用于测量硅酸盐玻璃结构的自然丰度 Si-29 和 O-17 NMR 方法
基本信息
- 批准号:1506870
- 负责人:
- 金额:$ 43.5万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Continuing Grant
- 财政年份:2015
- 资助国家:美国
- 起止时间:2015-09-01 至 2019-08-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
With this award, the Chemical Measurement and Imaging Program in the Division of Chemistry is supporting Professor Philip Grandinetti at Ohio State University to develop high-throughput methods for characterizing the atomic level structure of glasses using nuclear magnetic resonance (NMR) spectroscopy. Glasses have been used by mankind for millennia. The first historical record of man-made glasses appears as far back as 4500 years ago and the use of glass in windows began over 2000 years ago. Today the technological and economical impact of glassy materials is both immense and diverse. Despite its technological success, glass scientists and engineers still often resort to Edisonian approaches in attempts to understand the chemical compositions of glasses with desired properties. This is because the physical and chemical processes responsible for the properties of glasses and for glass transition are incompletely understood. Professor Grandinetti and his coworkers aim to achieve significantly higher throughput NMR measurements on such samples by optimally integrating two NMR sensitivity enhancement strategies, echo train acquisition and paramagnetic relaxation enhancement. Such high throughput NMR measurements in silicate glasses would considerably expand the range of chemical compositions that could be studied and eliminate the burden and cost of preparing isotopically enriched samples. This would have benefits for scientists studying the physics, chemistry, and materials science properties of glasses. The project will also provides interdisciplinary training opportunities to undergraduate, graduate and post-graduate students. The PI's ongoing partnership with scientists at the CEMHTI-CNRS lab in Orleans, France, will provide students the opportunity to collaborate across national boundaries. A partnership between Professor Grandinetti and Berea College will provide undergraduate students with summer research opportunities.In this multi-tiered project, the Grandinetti group will bring natural abundance Si-29 and O-17 2D NMR measurements of oxide glasses into the realm of routine measurements. In an effort to lay the groundwork for this project, the group will develop a next generation dynamic-angle spinning (DAS) probe in partnership with Revolution NMR, LLC. The group will then employ the DAS probe in a suite of complementary 2D NMR measurements to explore a series of thirty binary glass compositions of fundamental interest. In these studies, the Grandinetti lab will quantify the distributions of Si-O distances, Si-O-Si angles, and network-forming anionic species distributions. They will also develop the chemical shift anisotropy of Si-29 and the quadrupolar coupling of O-17 into a qualitative and quantitative probe of network modifier cation clustering, and develop the Si-29 J coupling across a Si-O-Si linkage into a more reliable probe of Si-O-Si angles and network connectivities. Taken together, these studies aim to provide a new level of qualitative and quantitative detail about structural order and disorder in glass. The structural details of glass to be elucidated through these studies would also benefit scientists seeking to develop thermodynamic models of glasses and melts, and seeking to refine potentials used in molecular dynamics simulations of glasses. Details on modifier cation clustering behavior in glasses will be useful to scientists developing improved structural models of ionic transport, of the mixed alkali effect, and of the microscopic structure of chemically strengthened glass.
有了这个奖项,化学部的化学测量和成像计划正在支持俄亥俄州州立大学的Philip Grandinetti教授开发高通量方法,用于使用核磁共振(NMR)光谱表征玻璃的原子水平结构。眼镜已经被人类使用了几千年。 人造玻璃的第一个历史记录出现在4500年前,玻璃在窗户上的使用开始于2000多年前。今天,玻璃材料的技术和经济影响是巨大和多样的。 尽管它在技术上取得了成功,玻璃科学家和工程师仍然经常诉诸爱迪生的方法,试图了解具有所需性能的玻璃的化学成分。 这是因为对玻璃性质和玻璃化转变的物理和化学过程还没有完全了解。 Grandinetti教授和他的同事的目标是通过最佳地整合两种NMR灵敏度增强策略,回波链采集和顺磁弛豫增强,在这些样品上实现显着更高的吞吐量NMR测量。在硅酸盐玻璃中的这种高通量NMR测量将显著地扩大可以研究的化学组成的范围,并且消除制备同位素富集的样品的负担和成本。这将有利于研究玻璃的物理、化学和材料科学特性的科学家。该项目还将为本科生、研究生和研究生提供跨学科培训机会。PI与法国奥尔良CEMHTI-CNRS实验室的科学家正在进行的合作将为学生提供跨越国界合作的机会。Grandinetti教授和Berea学院之间的合作伙伴关系将为本科生提供暑期研究机会。在这个多层次的项目中,Grandinetti小组将把氧化物玻璃的天然丰度Si-29和O-17 2D NMR测量带入常规测量领域。为了为该项目奠定基础,该集团将与Revolution NMR,LLC合作开发下一代动态角旋转(DAS)探头。然后,该小组将在一套互补的2D NMR测量中使用DAS探针,以探索一系列具有根本意义的30种二元玻璃组合物。在这些研究中,Grandinetti实验室将量化Si-O距离,Si-O-Si角度和网络形成阴离子物种分布的分布。他们还将Si-29的化学位移各向异性和O-17的四极耦合发展为网络改性剂阳离子聚集的定性和定量探针,并将Si-29 J耦合发展为Si-O-Si键合的更可靠探针。总之,这些研究的目的是提供一个新的水平的定性和定量的细节结构有序和无序的玻璃。 通过这些研究阐明的玻璃的结构细节也将有利于科学家寻求开发玻璃和熔体的热力学模型,并寻求改进用于玻璃分子动力学模拟的电势。关于玻璃中改性剂阳离子聚集行为的详细信息将有助于科学家开发改进的离子传输、混合碱效应和化学强化玻璃的微观结构的结构模型。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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Philip Grandinetti其他文献
Philip Grandinetti的其他文献
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{{ truncateString('Philip Grandinetti', 18)}}的其他基金
CDS&E: Statistical Learning Tools for NMR Spectroscopy of Non-Crystalline Materials
CDS
- 批准号:
2107636 - 财政年份:2021
- 资助金额:
$ 43.5万 - 项目类别:
Standard Grant
NMR methodologies for measuring correlated structural distributions in oxide glasses
测量氧化物玻璃中相关结构分布的 NMR 方法
- 批准号:
1807922 - 财政年份:2018
- 资助金额:
$ 43.5万 - 项目类别:
Standard Grant
Nuclear Magnetic Resonance Methods for Non-Crystalline Solids
非晶固体的核磁共振方法
- 批准号:
1012175 - 财政年份:2010
- 资助金额:
$ 43.5万 - 项目类别:
Standard Grant
NMR Methods for Determining Structure in Oxide Glasses
确定氧化物玻璃结构的 NMR 方法
- 批准号:
0616881 - 财政年份:2006
- 资助金额:
$ 43.5万 - 项目类别:
Continuing Grant
New NMR Methods for Investigating Structure in Inorganic Oxide Glasses
研究无机氧化物玻璃结构的新核磁共振方法
- 批准号:
0111109 - 财政年份:2001
- 资助金额:
$ 43.5万 - 项目类别:
Continuing Grant
Nuclear Magnetic Resonance Spectroscopic Studies of the Structure of Silicate Glasses
硅酸盐玻璃结构的核磁共振波谱研究
- 批准号:
9807498 - 财政年份:1998
- 资助金额:
$ 43.5万 - 项目类别:
Continuing Grant
Solid-State Nuclear Magnetic Resonance Spectroscopic Investigations of the Structure of Silicate Glasses
硅酸盐玻璃结构的固态核磁共振波谱研究
- 批准号:
9501827 - 财政年份:1995
- 资助金额:
$ 43.5万 - 项目类别:
Continuing Grant
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