Computational fluid dynamics study of potential solutions to alleviate viscous heating band broadening in 2.1...

We report on a numerical simulation study of a number of potential column technology solutions to minimize the plate height contribution (H_vh) originating from the use of ultra-high pressures and their concomitant viscous heating effect. Looking as far as possible into the future of UHPLC, all main results are obtained for the case of a 2500 bar pressure gradient. However, to generalize the result, a correlation is given that can be used to interpolate the results to lower pressures with some 10% accuracy. For the considered case of a 2.1mm column, a liquid flow rate of 0.45 ml/min, an analyte with retention factor k(25°C)=3 and a retention enthalpy chosen such that ΔH_R/R= -1000 K, it is found that, in order to keep the global plate height as measured at the column outlet (H_vh,glob,out) below 1 μm, the bed conductivity would need to be raised to λ_bed=2.4 W/m•K, i.e., 4 times higher than a typical packed bed of fully-porous or core-shell silica particles. An equivalent effect on the band broadening could be obtained if it would be possible to replace the steel column wall with a low conductivity material. In this case, a wall conductivity of 0.25 W/m•K, i.e., 64 times smaller than the conductivity of steel, would be needed to keep H_vh,glob,out below 1 μm. Results are also interpreted based on contour plots of the axial and radial velocity variation of a retained analyte.