Teaching Simulation and Computer-Aided Separation Optimization in Liquid Chromatography by Means of Illustrative Microsoft Excel Spreadsheets

作     者：Fasoula, S. Nikitas, P. Pappa-Louisi, A. 

作者机构：Aristotle Univ Thessaloniki Dept Chem Lab Phys Chem Thessaloniki 54124 Greece 

出 版 物：《JOURNAL OF CHEMICAL EDUCATION》 (化学教育杂志)

年 卷 期：2017年第94卷第8期

页      面：1167-1173页

核心收录：

学科分类：0401[教育学-教育学] 07[理学] 0703[理学-化学] 

主　　题：Graduate Education/Research Upper-Division Undergraduate Analytical Chemistry Computer-Based Learning Internet/Web-Based Learning Chromatography HPLC 

摘      要：A series of Microsoft Excel spreadsheets were developed to simulate the process of separation optimization under isocratic and simple gradient conditions. The optimization procedure is performed in a stepwise fashion using simple macros for an automatic application of this approach. The proposed optimization approach involves modeling of the peak shapes in order for the simulation of predicted chromatograms to be possible. The performance of the selected optimization procedure was tested by means of experiments performed on a reversed-phase column that produced Gaussian peaks for all solutes, providing benefits for computational simplicity. The separation optimization by Microsoft Excel especially with simple and easily implemented macros is a challenging pedagogical tool for advanced analytical chemistry courses. An illustrative video given in the Supporting Information supports a novice Excel practitioner in following the proposed separation optimization procedure.