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Simulation and Optimization of Retention in Ion Chromatography Using Virtual Column 2 Software
Citation
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]
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Copyright Statement
Copyright © 2002 American Chemical Society - Reproduced by permission of The Royal Society of Chemistry (RSC)
Official URL: http://pubs.acs.org
Abstract
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 www.virtualcolumn.com.
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 |
| Author: | Madden, JE (Dr John Madden) |
| Author: | Shaw, M (Dr Matt Shaw) |
| Author: | Dicinoski, GW (Associate Professor Gregory Dicinoski) |
| Author: | Haddad, PR (Professor Paul Haddad) |
| ID Code: | 25300 |
| Year Published: | 2002 |
| Web of Science® Times Cited: | 32 |
| Deposited By: | Chemistry |
| Deposited On: | 2002-08-01 |
| Last Modified: | 2010-02-01 |
| Downloads: | 355 View Download Statistics |
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