Unraveling Solvation: A Chemometric Study

Sarah C. Rutan在化学部的分析和表面化学项目的支持下进行研究，旨在通过使用光谱测量和化学计量学来更好地理解凝聚相中的溶剂化。她和她在弗吉尼亚联邦大学的团队将使用溶剂敏感染料探针来研究用于反相液相色谱的键合烷基硅相的溶剂化。其他研究将涉及探针分子在非理想二元溶剂混合物中的溶剂化，以及基于折射率变化引起的透光率变化来表征烷基相的溶剂化。将对数据进行线性和非线性化学计量学处理，以开发可用于预测保留行为的模型。将溶解在液相中的一种溶质从其他溶质中去除的过程包括将该溶质转移到另一相中。这是化学分离的过程，从实际的角度来看，它对污染控制、纯药品和其他化学品的生产以及许多其他应用都很重要。这项工作包括对溶剂化过程的基础研究，以便更好地理解所涉及的化学。这可能会导致这些实际应用的重大改进。

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.