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
• 负责人: Philip Grandinetti
• 金额: $ 30.99万
• 依托单位: Ohio State University Research Foundation -DO NOT USE
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1998
• 资助国家: 美国
• 起止时间: 1998-08-15 至 2001-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9807498&HistoricalAwards=false
• 关键词: Nuclear; Magnetic; Resonance; Spectroscopic; Studies

Grandinetti is supported by the Experimental Physical Chemistry Program to study non-crystalline silicate glasses using NMR spectroscopy. The primary objectives of this project are (1) to apply two-dimensional solid-state NMR methodologies in the measurement of structural distributions in silicate glasses, and (2) to develop oxygen-17 solid-state NMR as a probe of oxygen coordination number and geometry in silicate materials. The increased understanding of the structure of network modified silicate glasses that will emerge from this work is expected to help refine potential functions used for molecular dynamics simulations of silicates, to assist in confirming structural thermodynamic models of silicate glasses and melts, to improve understanding of ionic transport, and to increase the utility of oxygen-17 NMR as a probe of related systems such as ceramics, catalysts, and biopolymers. The characteristics of non-crystalline materials can be varied by adjusting their compositions, an advantage in the design and preparation of materials with controllable properties. The structure/property relationships in non-crystalline materials, however, need to be understood better in order to facilitate design strategies for materials with predictable features. The combined experimental and computational study of glassy materials in this project will enhance the knowledge base for materials development, and impact as well on fields such as inorganic geochemistry and waste containment glass technology.

Grandinetti由实验物理化学计划支持 利用核磁共振光谱研究非晶硅酸盐玻璃。 的 该项目的主要目标是（1）应用二维 固体核磁共振方法在结构测量中的应用 分布在硅酸盐玻璃，和（2）开发氧-17 固体核磁共振作为氧配位数和几何结构探针 硅酸盐材料 增加对结构的了解， 网络改性硅酸盐玻璃，将出现从这项工作是 有望帮助完善用于分子动力学的势函数 硅酸盐的模拟，以帮助确认结构 硅酸盐玻璃和熔体的热力学模型，以提高 了解离子运输，并增加利用 氧-17核磁共振作为相关系统如陶瓷，催化剂， 和生物聚合物。 非晶体材料的特性可以通过以下方式改变： 调整了它们的组成，在设计和制备方面具有优势， 具有可控特性的材料。 结构/属性 然而，非晶体材料中的关系需要被 更好地理解，以促进材料的设计策略 具有可预测的特征。 结合实验和计算 在这个项目中对玻璃材料的研究将增强知识基础 用于材料开发，并对无机物等领域产生影响， 地球化学和废物遏制玻璃技术。