Note of solving Equilibrium Dispersive model with the Craig scheme for gradient chromatography case

Krzysztof Kaczmarski; Marcin Chutkowski

doi:10.1016/j.chroma.2020.461504

Note of solving Equilibrium Dispersive model with the Craig scheme for gradient chromatography case

J Chromatogr A. 2020 Oct 11:1629:461504. doi: 10.1016/j.chroma.2020.461504. Epub 2020 Aug 21.

Authors

Krzysztof Kaczmarski¹, Marcin Chutkowski²

Affiliations

¹ Department of Chemical and Process Engineering, Rzeszów University of Technology, 35-959 Rzeszów, Poland. Electronic address: kkaczmarski@prz.edu.pl.
² Department of Chemical and Process Engineering, Rzeszów University of Technology, 35-959 Rzeszów, Poland.

PMID: 32846339
DOI: 10.1016/j.chroma.2020.461504

Abstract

A modified method for the Craig scheme solution applied for a chromatographic column has been proposed and the corresponding implicit code is presented. The new approach improves the mass conservation problem frequently reported during the numerical solution of the Equilibrium Dispersive model with Craig scheme. The modified code has been successfully verified in gradient chromatography conditions by comparison with the reliable solutions of the Equilibrium Dispersive model by the Orthogonal Collocation on Finite Elements (OCFE). The errors obtained with the modified Craig method are less than about 1% in the case of retention times, and less than about 11% in the case of apparent number of theoretical plates, comparing to the OCFE solutions.

Keywords: Craig scheme; Gradient chromatography; Mass balance conservation.

MeSH terms

Chromatography / instrumentation
Chromatography / methods*
Finite Element Analysis
Models, Theoretical*