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Journal of Chromatography
Volume 1030, Issues 1-2, 19 March 2004, Pages 53-62
27th International Symposium on High-Performance Liquid-Phase Separations and Related Techniques. Part I
 
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doi:10.1016/j.chroma.2003.12.038    
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Copyright © 2004 Elsevier B.V. All rights reserved.

Computational study of the band broadening in two-dimensional etched packed bed columns for on-chip high-performance liquid chromatography

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P. Gzil Corresponding Author Contact Information, E-mail The Corresponding Author, J. De Smet , N. Vervoort , H. Verelst , G. V. Baron and G. Desmet

Department of Chemical Engineering, Vrije Universiteit Brussel, Pleinlaan 2, 1050, Brussels, Belgium


Available online 24 January 2004.

Abstract

The chromatographic performance of several straightforward two-dimensional etched packed bed column lay-outs (equilaterally staggered arrays of, respectively, circular, hexagonal, and diamond-like pillars) has been compared using commercial computational fluid dynamics software. In all cases, the bed porosity was kept at var epsilon=0.4 and a retained component with zone capacity ratio k″=2 was considered. Exploring the use of six different possible characteristic dimensions to bring the Van Deemter plots of the three different considered particle shapes into agreement, none of them yielded a perfect agreement. Using the pillar volume-based equivalent cylinder diameter (deq) as the characteristic dimension, the diamond-like pillars yielded a significantly smaller hmin value than the cylinders and the hexagons (hmincongruent with0.74 for the former versus hmincongruent with0.83 for the two latter). Including the flow resistance into the analysis, it was found that the “hydrodynamic” shape of the particles has an important influence on the separation impedance E. The more axially elongated diamond pillars yielded an Emin number as small Emin=180 (for a retained component with k″=2), i.e. about 40% smaller than the cylinders and the hexagons (Emin=300–330). The obtained hmin and Emin values are also significantly smaller than the values often cited for the best possible packed bed HPLC columns. We believe this is a consequence of the assumed perfect homogeneity of the etched structures, and hence hints at the potential benefits of perfectly ordered chromatographic columns, as was already inferred by Knox [J. Chromatogr. A 831 (1999) 3; 960 (2002) 7] and He et al. [Anal. Chem. 70 (1998) 3790].

Author Keywords: Author Keywords: Band broadening; Computational fluid dynamics; Packed columns; Etched columns; Mathematical modelling; Computer simulation

Article Outline

1. Introduction
2. Considered geometries and performance comparison criteria
3. Numerical solution and data processing methods
4. Results and discussion
4.1. Velocity fields and flow resistance
4.2. Species transport and band broadening calculations
4.3. Separation impedance
5. Conclusions
6. Nomenclature
Acknowledgements
References








Corresponding Author Contact InformationCorresponding author. Tel.: +32-2-629-32-51; fax: +32-2-629-32-48.


Journal of Chromatography
Volume 1030, Issues 1-2, 19 March 2004, Pages 53-62
27th International Symposium on High-Performance Liquid-Phase Separations and Related Techniques. Part I
 
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