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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

基本信息

批准号：
1807922
负责人：
Philip Grandinetti
金额：
$ 51万
依托单位：
Ohio State University
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2018
资助国家：
美国
起止时间：
2018-09-01 至 2022-08-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1807922&HistoricalAwards=false
关键词：
NMR methodologies measuring correlated structural

项目摘要

With support from the Chemical Measurement and Imaging Program in the Division of Chemistry and co-funding from the Ceramics Program in the Division of Materials Research, Prof. Philip Grandinetti and his group at the Ohio State University are developing and using sophisticated nuclear magnetic resonance (NMR) tools to probe the chemical properties of glasses. While the majority of world-wide glass production focuses on windows and containers, there is growing demand for improved specialty glasses which have become vital to a large range of technological applications, such as handheld electronic devices, displays, optical fibers, glass substrates for lighting, bio-glass implants, and nuclear waste storage. A major challenge in tailoring the properties of new glass compositions is the inadequacy of available quantitative details about the structure of glasses, which determines their macroscopic (bulk) properties. NMR is uniquely suited for characterization of this structure. Professor Grandinetti is developing both sophisticated "higher-dimensional" NMR methods, and new approaches to statistical analysis of NMR data to characterize alkali and alkaline-earth silicate and aluminosilicate glasses. The work will enable better understanding of features contributing to phenomena such as phase separation and properties such as the strength of glasses. These new insights will help glass scientists and engineers working on the next generation of specialty glasses. The work is providing research opportunities for students from underrepresented groups, in part through a partnership with Berea College (where 1/3 of students are from ethnic minorities and admission is granted only to students whose family income falls within the bottom 40% of U.S. households). Collaborations with scientists at Corning, Inc. and other research labs throughout the world provide all students involved in the project with opportunities for interactions with industry and across national boundaries. This project focuses on employing (1) two-dimensional (2D) NMR methods that separate and correlate isotropic and anisotropic NMR frequencies arising from the Si-29 nuclear shielding and from O-17 nuclear electric quadrupole interactions, (2) 2D NMR methods that separate and correlate isotropic and Si-29 J couplings to determine quantitative distributions of NMR spectroscopic parameters present in glasses, and (3) inverse Laplace methods to determine the distribution of nuclear longitudinal and transverse relaxation times of Si-29 in multi-component silicate glasses, including alkali and alkaline-earth silicate and aluminosilicate glasses. The Grandinetti group is seeking quantitative distributions of specific structure quantities such as the distribution of network-forming anionic species (Qn), the Q3 silicon-non-bridging oxygen lengths, the inter-tetrahedral linkage angle and distances, intra-tetrahedral distortions, and cation percolation thresholds, by determining analytical relationships between NMR parameters and short- to medium-range structure. They also use the distribution of nuclear longitudinal and transverse relaxation times of Si-29 in multi-component silicate glasses to identify phase separation in glasses and gain insight into composition and structure of phase-separated regions.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

在化学学部化学测量与成像项目和材料研究学部陶瓷项目的共同资助下，俄亥俄州立大学的Philip Grandinetti教授和他的团队正在开发和使用复杂的核磁共振（NMR）工具来探测玻璃的化学性质。虽然世界范围内大多数玻璃生产都集中在窗户和容器上，但对改进的特种玻璃的需求不断增长，这些玻璃已成为各种技术应用的关键，例如手持电子设备，显示器，光纤，照明玻璃基板，生物玻璃植入物和核废料储存。定制新玻璃组合物性能的一个主要挑战是关于玻璃结构的可用定量细节的不足，这决定了它们的宏观（体积）性能。核磁共振是唯一适合表征这种结构。格兰迪内蒂教授正在开发复杂的“高维”核磁共振方法，以及对核磁共振数据进行统计分析的新方法，以表征碱、碱土硅酸盐和铝硅酸盐玻璃。这项工作将使人们更好地理解导致相分离等现象的特征和玻璃强度等特性。这些新的见解将有助于玻璃科学家和工程师研究下一代特种玻璃。这项工作为来自弱势群体的学生提供了研究机会，部分是通过与伯里亚学院（Berea College）的合作（该校三分之一的学生来自少数族裔，只录取家庭收入在美国家庭中垫底40%的学生）。与康宁公司和世界各地其他研究实验室的科学家合作，为参与该项目的所有学生提供了与行业和跨越国界互动的机会。该项目重点采用(1)二维（2D）核磁共振方法，分离和关联由Si-29核屏蔽和O-17核电四极相互作用产生的各向同性和各向异性核磁共振频率；(2)二维核磁共振方法，分离和关联各向同性和Si-29 J耦合，以确定玻璃中存在的核磁共振光谱参数的定量分布。(3)利用拉普拉斯逆变换方法确定Si-29在多组分硅酸盐玻璃（包括碱、碱土硅酸盐和铝硅酸盐玻璃）中的核纵向和横向弛豫时间分布。Grandinetti小组正在通过确定核磁共振参数与中短期结构之间的分析关系，寻找特定结构数量的定量分布，如形成网络的阴离子种类（Qn）的分布、Q3硅-非桥接氧长度、四面体间的连接角度和距离、四面体内的畸变和阳离子渗透阈值。他们还利用Si-29在多组分硅酸盐玻璃中的核纵向和横向弛豫时间分布来确定玻璃中的相分离，并深入了解相分离区域的组成和结构。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

期刊论文数量（4）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Natural abundance O17 and S33 nuclear magnetic resonance spectroscopy in solids achieved through extended coherence lifetimes

通过延长相干寿命实现固体中自然丰度 O17 和 S33 核磁共振波谱

DOI：
10.1103/physrevb.100.140103
发表时间：
2019
期刊：
Physical Review B
影响因子：
3.7
作者：
Jardón-Álvarez, Daniel;Bovee, Mark O.;Baltisberger, Jay H.;Grandinetti, Philip J.
通讯作者：
Grandinetti, Philip J.

Silicon-29 echo train coherence lifetimes and geminal 2J -couplings in network modified silicate glasses

网络改性硅酸盐玻璃中的 Silicon-29 回波链相干寿命和孪生 2J 耦合