Predictions of overloaded concentration profiles in supercritical fluid chromatography

Here, overloaded concentration profiles were predicted in supercritical fluid chromatography using a combined two-dimensional heat and mass transfer model. The heat balance equation provided the temperature and pressure profiles inside the column. From this the density, viscosity, and mobile phase velocity profiles in the column were calculated. The adsorption model is here expressed as a function of the density and temperature of the mobile phase. The model system consisted of a Kromasil Diol column packed with 2.2-µm particles (i.e., a UHPSFC column) and the solute was phenol eluted with neat carbon dioxide at three different outlet pressures and five different mobile phase flow rates. The proposed model successfully predicted the eluted concentration profiles in all experimental runs with good agreement even with high-density drops along the column. It could be concluded that the radial temperature and density gradients did not significantly influence the overloaded concentration elution profiles.