Solid-State Nuclear Magnetic Resonance Spectroscopic Investigations of the Structure of Silicate Glasses

在这项由化学系实验物理化学计划资助的教师早期职业发展奖中，俄亥俄州立大学的菲利普·格兰迪内蒂将应用最近开发的二维核磁共振技术和动态角度旋转来表征硅酸盐玻璃的结构。还将研究碱和碱网络改性硅酸盐玻璃的结构分布，以量化角分布、非桥氧环境和硅酸盐物种分布随组成的变化。这些信息将被用来改进在玻璃结构和动力学的分子动力学模拟研究中使用的势函数。该计划的教育部分将侧重于改善普通化学课程中的师生联系，使用数据库帮助教师识别有困难的学生并实施改进策略，以及开发核磁共振和数据采集与分析的新课程。由于缺乏将成分和结构与性能联系起来的合理理论模型，玻璃的设计和制备变得困难。格兰迪内蒂教授将使用核磁共振技术提供实验结构数据，这些数据可以证实理论模型的基础，并提高它们的预测能力。这些信息也将对相关体系的核磁共振研究有价值，如陶瓷、催化剂和生物聚合物。

In this Faculty Early Career Development Award funded by the Experimental Physical Chemistry Program in the Chemistry Division, Phillip Grandinetti of Ohio State University will apply recently developed two dimensional NMR techniques and Dynamic Angle Spinning to characterize structures in silicate glasses. Structural distributions in alkali and alkaline network modified silicate glasses will also be studied to quantify changes in angle distributions, non-bridging oxygen environments, and silicate species distributions as functions of composition. This information will be used to refine potential functions used in molecular dynamics simulation studies of the structure and dynamics of glasses. The educational component of this program will focus on improving faculty-student contact in the general chemistry course, using a database to help instructors identify students with difficulties and implement strategies for improvement, and developing new courses in NMR and Data Acquisition and Analysis. The design and preparation of glasses is made difficult by the lack of sound theoretical models relating composition and structure to properties. Professor Grandinetti will use NMR techniques to provide experimental structural data which can confirm the basis of theoretical models and improve their predictive capabilities. Such information will also be of value in NMR studies of related systems such as ceramics, catalysts, and biopolymers.