Journal of Chromatography A ( IF 4.1 ) Pub Date : 2020-11-13 , DOI: 10.1016/j.chroma.2020.461710 Frederick Matheuse , Sander Deridder , Gert Desmet
The present study proposes a ready-to-use analytical expression to calculate the mobile zone mass transfer contribution (hCm) in packed bed columns. For this purpose, first high-accuracy computations of the band broadening in a perfectly ordered sphere array (fcc-arrangement, external porosity ε=0.40) were made using computational fluid dynamics (CFD), covering a broad range of zone retention factors (2≤k’’≤18) and reduced velocities (0≤νi≤48). Subsequently, these data were used to determine the value of the geometrical constants in a number of possible analytical expressions for the hCm-contribution. This fitting exercise showed the traditional literature approach, using the Wilson-Geankoplis correlation to calculate the dimensionless Sherwood (Sh) number for the mass transfer, leads to fitting errors on the hCm-term as large as 150%. Instead, a new correlation for Sh is established. In addition, we also explored the difference in fitting accuracy between hCm-expressions based on either a plug-flow or a laminar flow profile assumption. Surprisingly, no significant difference in fitting accuracy between both assumptions was observed. Finally, a best-fit analytical expression is proposed that can represent the CFD-computed band broadening data with an average absolute fitting error of Δh=0.005, corresponding to a relative error of 2.5% on the hCm-term and of only 0.3% on the total plate height in a perfectly ordered sphere packing. Defining the presently investigated fcc-ordered sphere array with external porosity=40% as the reference geometry for a perfect sphere packing, the established expression can be used as a new yardstick expression against which the degree of eddy-dispersion can be measured.
中文翻译:
液相色谱中填充球床中流动区传质谱带扩展的保留因子和速度依赖性的明确表达
本研究提出了一种现成的分析表达式,用于计算填充床塔中的移动区传质贡献(h Cm)。为此,首先使用计算流体力学(CFD)对完全有序的球形阵列中的谱带展宽进行了高精度计算(fcc排列,外部孔隙率ε= 0.40),涵盖了广泛的区域保留因子(2 ≤k''≤18)和降低的速度(0≤ν我≤48)。随后,这些数据用于确定h Cm的许多可能分析表达式中的几何常数的值-贡献。该拟合练习显示了传统的文献方法,使用Wilson-Geankoplis相关性计算质量传递的无量纲舍伍德(Sh)数,导致h Cm项上的拟合误差高达150%。取而代之的是,建立Sh的新相关性。此外,我们还根据塞流或层流剖面假设探索了h Cm表达式之间拟合精度的差异。出人意料的是,在两个假设之间都没有观察到拟合精度的显着差异。最后,提出了一个最佳拟合分析表达式,该表达式可以表示CFD计算的谱带展宽数据,其平均绝对拟合误差为Δh= 0.005,对应于h Cm上的相对误差为2.5%-完美排列的球状填料,仅占板总高度的0.3%。将当前研究的fcc有序球体阵列(外部孔隙率= 40%)定义为理想球体填充的参考几何体,可以将建立的表达式用作新的准绳表达式,可以根据其衡量涡流分散程度。