Selection of stationary phase particle geometry using X-ray computed tomography and computational fluid dynamics simulations

The X-ray computed tomography (CT) is used to determine local parameters related to the column packing homogeneity and hydrodynamics in columns packed with spherically and irregularly shaped particles of same size. The results showed that the variation of porosity and axial dispersion coefficient along the column axis is insignificant, compared to their radial distribution. The methodology of using the data attained by CT measurements to perform a CFD simulation of a batch separation of model binary mixtures, with different concentration and separation factors is demonstrated. The results of the CFD simulation study show that columns packed with spherically shaped particles provide higher yield in comparison to columns packed with irregularly shaped particles only below a certain value of the separation factor. The presented methodology can be used for selecting a suited packing material for a particular separation task.

► Locally distributed chromatographic parameters determined by X-ray computed tomography.
► Axial distribution of porosity and axial dispersion insignificant compared to radial distribution.
► CFD simulation of batch separation using experimentally obtained column packing and hydrodynamics data.
► Selection of a suited stationary phase with regard to its shape by means of developed CFD model.