Computer aided optimization of multilinear gradient elution in liquid chromatography

J Chromatogr A. 2021 Jan 4:1635:461754. doi: 10.1016/j.chroma.2020.461754. Epub 2020 Nov 26.

Abstract

Analytical expressions for retention time and peak compression factor are deduced by assuming quadratic solvent strength model and multilinear gradient elution. Based on these expressions, a program for the optimization of multilinear gradient profile is written with Visual Basic for Applications in Excel using genetic algorithm. The program is applied to search for a gradient profile for the separation of twelve compounds that are degraded from lignin. It is shown that the predicted and experimental chromatograms are well consistent. A better separation of the compounds is achieved under an S-shaped multilinear gradient profile than that obtained under linear gradient profile.

Keywords: liquid chromatography; multilinear gradient elution; peak compression; quadratic solvent strength; retention time.

MeSH terms

  • Chemistry Techniques, Analytical / methods*
  • Chromatography, Liquid*
  • Computers*
  • Pressure
  • Solvents / chemistry

Substances

  • Solvents