Unraveling Solvation: A Chemometric Study

莎拉·C Rutan由分析和表面化学 在化学部的计划，以执行研究，旨在发展 更好地理解溶剂化在凝聚相通过使用 光谱测量和化学计量学。 她和她的团队在 弗吉尼亚联邦大学将使用溶剂敏感染料探针， 研究用于反相的键合烷基二氧化硅相的溶剂化作用。 液相色谱法 其他研究将涉及溶剂化 非理想二元混合溶剂中的探针分子及其表征 基于光的变化的烷基相的溶剂化 由折射率变化引起的透射率。 线性和 将对数据进行非线性化学计量学处理， 开发可用于预测保留行为的模型。 从溶解在溶液中的其它溶质中除去一种溶质的过程 液相包括将该溶质转移到另一相中。 这 是化学分离的过程，对于实际的 污染控制、纯药物生产和 其他化学品和许多其他应用。 这项工作涉及 溶剂化过程的基础研究，使更好地 对所涉及的化学的理解。这可能导致重大的 这些实际应用的改进。

Sarah C. Rutan is supported by the Analytical and Surface Chemistry Program in the Chemistry Division to perform studies aimed at developing a better understanding of solvation in condensed phases through the use of spectroscopic measurements and chemometrics. She and her group at Virginia Commonwealth University will use solvent sensitive dye probes to investigate the solvation of bonded alkyl silica phases used in reverse phase liquid chromatography. Other studies will involve solvation of probe molecules in non-ideal binary solvent mixtures and characterization of the solvation of alkyl phases based on variations in light transmittance caused by changes in refractive index. Linear and non-linear chemometric treatments of the data will be performed to develop models which can be used to predict retention behavior. The process of removing one solute from among others dissolved in a liquid phase involves transfering that solute into another phase. This is the process of chemical separations and is important from a practical viewpoint for pollution control, production of pure pharmaceuticals and other chemicals, and many other applications. This work involves a fundamental study of the solvation process to enable a better understanding of the chemistry involved. This could lead to significant improvements in these practical applications.