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Simulation and Optimization of Retention in Ion Chromatography Using Virtual Column 2 Software


Madden, JE and Shaw, M and Dicinoski, GW and Avdalovic, N and Haddad, PR, Simulation and Optimization of Retention in Ion Chromatography Using Virtual Column 2 Software, Analytical Chemistry, 74, (23) pp. 6023-6030. ISSN 0003-2700 (2002) [Refereed Article]


Copyright Statement

Copyright 2002 American Chemical Society - Reproduced by permission of The Royal Society of Chemistry (RSC)

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DOI: doi:10.1021/ac020280w


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 Details

Item Type:Refereed Article
Research Division:Chemical Sciences
Research Group:Analytical chemistry
Research Field:Separation science
Objective Division:Expanding Knowledge
Objective Group:Expanding knowledge
Objective Field:Expanding knowledge in the chemical sciences
UTAS Author:Madden, JE (Dr John Madden)
UTAS Author:Shaw, M (Dr Matt Shaw)
UTAS Author:Dicinoski, GW (Associate Professor Gregory Dicinoski)
UTAS Author:Haddad, PR (Professor Paul Haddad)
ID Code:25300
Year Published:2002
Web of Science® Times Cited:34
Deposited By:Chemistry
Deposited On:2002-08-01
Last Modified:2010-02-01
Downloads:529 View Download Statistics

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