GOALI Retention Processes in Gas-Liquid and Reversed-Phase Liquid Chromatography. A Molecular Simulation Study

这个赠款机会学术联络与工业（GOALI）项目是在分析和表面化学计划和多学科活动的办公室支持。 Siepmann教授的工作和Schure博士的工作是明尼苏达大学双城分校与Rohm和哈斯在分析应用的一个极其重要领域的合作。 本研究的基本保留机制，在气相色谱和反相液相色谱将提供一个能力，预测保留时间的基础上，分子水平的了解分配。 Siepmann教授和他在明尼苏达大学的学生将与Rohm和哈斯的Schure博士合作，系统地模拟分离科学中研究的经典系统的吸附和分配特性，例如直链和支链烷烃与非极性烃基固定相的相互作用。 这项工作将扩展到烷烃、醇和烷基苯的同系研究。 参与该研究项目的学生将接触到一家大型化学公司中分离科学的影响和发展。 工业科学家对这些学生的指导将对他们做出职业决定非常宝贵，并为他们提供了超越大学的额外视角。 分离科学领域的一般，尽管其在工业环境中占主导地位，是在学术研究计划的代表性不足。 与Siepmann教授和Schure博士一起工作的学生将获得特别有价值的专业知识。通过气相色谱或反相液相色谱分离两种化合物的能力是基于样品分子在固定载体上的吸附差异。 在分子水平上对这一过程的理解是不完整的。 Siepmann（学术）和Schure（工业）之间的合作项目将提高理解水平，并允许通过气相色谱法预测样品分子之间的分离程度。

This Grant Opportunities for Academic Liaison with Industry (GOALI) project is supported in the Analytical and Surface Chemistry Program and the Office of Multidisciplinary Activities. The work of Professor Siepmann and the work of Dr. Schure is a collaboration between the University of Minnesota -- Twin Cities and Rohm and Haas on an extremely important area of analytical application. This study of the basic retention mechanisms in gas chromatography and reverse phase liquid chromatography will provide an ability to predict retention times based on a molecular-level understanding of partition. Professor Siepmann and his students at the University of Minnesota will work in collaboration with Dr. Schure at Rohm and Haas to systematically model the adsorption and partition properties of classic systems studied in separation science, such as the interactions of linear and branched alkanes with a non-polar hydrocarbon-based stationary phase. This work will be extended to studies of homologous series of alkanes, alcohols, and alkylbenzenes. Students involved in this research project will be exposed to the impact and development of separations science within a major chemical company. Mentoring of these students by industrial scientists will be invaluable to them as they make career decisions, and provide them with an added perspective beyond the university. The area of separations science in general, despite its predominance in the industrial setting, is under-represented in academic research programs. Students working with Professor Siepmann and Dr. Schure will gain especially valuable professional expertise.The ability to separate two compounds by gas chromatography or reverse phase liquid chromatography is based on differences in adsorption of the sample molecules onto a stationary support. Understanding of this process at the molecular level is incomplete. This collaborative project between Siepmann (academic) and Schure (industry) will increase the level of understanding, and allow prediction of the extent of separation between sample molecules by gas chromatography.