GOALI: Collaborative Research: Development and Application of Monte Carlo Simulation Tools for HILIC, Ion Chromatography, and SERS Chemosensors

GOALI：合作研究：HILIC、离子色谱和 SERS 化学传感器的蒙特卡罗模拟工具的开发和应用

• 批准号: 1152998
• 负责人: Joern Ilja Siepmann
• 金额: $ 38.39万
• 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: 2012
• 资助国家: 美国
• 起止时间: 2012-10-01 至 2016-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1152998&HistoricalAwards=false
• 关键词: GOALI; Collaborative; Research; Development; Application

In this collaborative GOALI award, co-funded by the Chemical Measurement and Imaging Program of the Division of Chemistry and the Biotechnology, Biochemical and Biomass Engineering and the Chemical and Biological Separations Programs of the Division of Chemical, Bioengineering, Environmental, and Transports Systems Division, Professor Joern Siepmann of the University of Minnesota, Prof. Jake Rafferty of North Hennepin Community College and their undergraduate and graduate student researchers will work collaboratively with scientists from the Dow Chemical company to model the molecular processes taking place in a variety of analytical and separations experiments, including: reversed-phase liquid chromatography, hydrophilic interaction liquid chromatrography, ion chromatography, and the analyte distribution in self-assembled monolayers used for surface-enhanced Raman scattering. The computational approaches that Profs. Siepmann, Rafferty and their students are developing will be combined with experimental data measured by Dr. Mark Schure and collaborators at Dow Chemical to better understand the process taking place in these experimental systems. The ultimate goal of these kinds of experiments is to improve these processes for science and engineering applications. The ability to cleanly and efficiently separate complex chemical mixtures into their separate components is of critical importance to a number of important industries, including the production of fine chemicals, pharmaceuticals, etc. The separation and purification steps in the production of these commodities is also one that can use significant quantities of materials and produce significant amount of waste. By developing better methods for separations, Siepmann, Rafferty and others hope to improve the selectivity and efficiency of these important processes. The graduate and undergraduate students working on this project will gain useful experience in academic and industrial settings, which will help prepare them well for a wide variety of careers in science and technology. This project will also involve the participation of high school and community college students in this research, which will help to excite and engage the next generation of scientists.

在这个合作目标奖中，由化学测量和成像计划共同提供，生物技术，生物化学和生物量工程以及化学，生物工程，环境，环境，环境和运输系统部的化学和生物学分离计划研究生研究人员将与DOW化学公司的科学家合作，对各种分析和分离实验进行的分子过程进行建模，包括：反相 - 相液相色谱，亲水性相互作用液体色谱，离子色谱，离子色谱和用于自隔组合的单层的分析物用于表面上的Raman Raman Sperface-Raman Sperface-Raman的分析。 教授的计算方法。 Siepmann，Rafferty及其学生正在发展，将与Mark Schure博士和Dow Chemical的合作者测量的实验数据相结合，以更好地了解这些实验系统中发生的过程。 这类实验的最终目标是改善科学和工程应用程序的这些过程。 对许多重要行业（包括生产精美的化学品，药品等的生产），将复杂的化学混合物干净有效地将复杂的化学混合物分为其单独的组件的能力至关重要。产生这些商品的分离和纯化步骤也是可以使用大量材料并产生大量废物的分离和纯化步骤。通过开发更好的分离方法，Siepmann，Rafferty和其他人希望提高这些重要过程的选择性和效率。 从事该项目的研究生和本科生将在学术和工业环境中获得有用的经验，这将有助于为科学和技术领域的各种职业做好准备。 该项目还将涉及高中和社区大学生参与这项研究，这将有助于激发和吸引下一代科学家。