We present an application of Microsoft Excel and specifically Excel Macros for the purpose of modeling chromatography, specifically Ion Chromatography.  Chromatography is one of the cornerstones of modern analytical chemistry; developing an instinctive feeling for how chromatography works will be invaluable to future generation of chromatographers.  Although numerous specialized software exist that simulate the chromatographic process and even more that handle and manipulate chromatographic data, the inner algorithm of such software are not transparent to a beginner.  In contrast spreadsheet tools like Microsoft ExcelTM are nearly universally available.  We show that the simple repetition of an equilibration process at each plate (a spreadsheet row) followed by discrete movement of the mobile phase down by a row, easily automated by a subroutine (a �Macro� in Excel) readily simulates chromatography.  The process is readily understood by a novice.  Not only does this permit simulation of simple gradient elution, linear or multistep gradients are also easily simulated.  The versatility of a transparent and easily understandable computational platform in fact readily makes possible the simulation of complex but commonly encountered chromatographic scenario such as the effects of nonlinear isotherms, active sites, column overloading, on-column analyte degradation, etc.; often not as easily modeled by dedicated prepackaged highly specialized software.  Views of both the separation as it develops on the column and as seen by an end-column detector are both available in real time.  Excel 2010TM also permits a 16-level (4-bit) color gradation of numerical values in a column/row; this permits visualization of a band migrating down the column in this simple computational domain much as Tswett may have originally observed.  All parameters of relevance (partition constants, elution conditions etc.) are readily changed so their effects can be examined.

Chromatography simulation using microsoft Excel

248th National Meeting (2014)

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