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Simulation and optimization of retention in ion chromatography using Virtual Column 2 software


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Madden, JE, Shaw, MJ, Dicinoski, GW, Avdalovic, N and Haddad, PR 2002 , 'Simulation and optimization of retention in ion chromatography using Virtual Column 2 software' , Analytical Chemistry, vol. 74, no. 23 , pp. 6023-6030 , doi: 10.1021/ac020280w.

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A new software package, Virtual Column 2, is described for the simulation and optimization of the separation of inorganic anions by ion chromatography (IC). The software uses a limited amount of experimental retention data acquired according to a correct experimental design to predict retention times for analytes over a designated search area of eluent compositions. The experimental retention data are used to solve a new retention model, called the linear solvent strength model, empirical approach (LSSM-EA), which then enables prediction of retention times for all eluent compositions in the search area. The theoretical development of LSSM-EA and the processes used for solving the equations are discussed. Virtual Column 2 can be used for eluents containing one or two competing ions, and the software contains retention databases for up to 33 analytes on the Dionex AS9A-HC, AS4A-SC, and AS14A analytical columns with carbonate-bicarbonate eluents and the Dionex AS10, AS15, and AS16 analytical columns with hydroxide eluents (results for the AS10 and AS15 columns are not discussed in the present study). Virtual Column 2 has been evaluated extensively and is shown to give predicted retention times that in most cases agree with experimentally determined data to within 5%. The software has uses in practical IC method development, education and training in IC, and refinement of existing IC methodology. A free version of this program is available by download at

Item Type: Article
Authors/Creators:Madden, JE and Shaw, MJ and Dicinoski, GW and Avdalovic, N and Haddad, PR
Journal or Publication Title: Analytical Chemistry
ISSN: 0003-2700
DOI / ID Number: 10.1021/ac020280w
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Copyright © 2002 American Chemical Society

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