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

气液和反相液相色谱中的 GOALI 保留过程。

• 批准号: 9816328
• 负责人: Joern Ilja Siepmann
• 金额: $ 22.71万
• 依托单位: University of Minnesota-Twin Cities
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1999
• 资助国家: 美国
• 起止时间: 1999-07-15 至 2002-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9816328&HistoricalAwards=false
• 关键词: GOALI; Retention; Processes; Gas; Liquid

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.

GOALI项目是由分析和表面化学项目以及多学科活动办公室支持的。Siepmann教授和Schure博士的工作是明尼苏达大学双子城分校和Rohm and Haas在一个极其重要的分析应用领域的合作。这项对气相色谱和反相液相色谱基本保留机理的研究将提供一种基于分子水平对分配的理解来预测保留时间的能力。明尼苏达大学的Siepmann教授和他的学生将与Rohm and Haas的Schure博士合作，系统地模拟分离科学中研究的经典体系的吸附和分配性质，例如直链和支链烷烃与非极性碳氢化合物固定相的相互作用。这项工作将扩展到烷烃、醇和烷基苯的同系物系列的研究。参与这一研究项目的学生将接触到一家大型化工公司内部分离科学的影响和发展。工业科学家对这些学生的指导对他们做出职业决策将是无价的，并为他们提供大学以外的额外视角。总体来说，分离科学领域尽管在工业领域占据优势，但在学术研究项目中的代表性不足。与西普曼教授和舒尔博士合作的学生将获得特别有价值的专业知识。用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)之间的这一合作项目将提高理解水平，并允许通过气相色谱预测样品分子之间的分离程度。