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Computational fluid dynamics simulation of the adsorption separation of three components in high performance liquid chromatography

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Summary

The four stereoisomers of nadolol were successfully separated into three groups (SRS)-nadolol and (SSR)-nadolol, (RRS)-nadolol and (RSR)-nadolol using HPLC. The adsorption equilibrium coefficients, mass transfer coefficients of the three groups and the bed voidage were experimentally determined. The computational fluid dynamics (CFD) simulation of the separation was carried out using FEMLAB, which is application software from MATLAB. The simulation visualized the processes of dispersion and separation occurring inside the column. The curvature of the concentration profiles within the column were observed using the simulation. The simulated chromatogram correctly predicted the peak behavior of the eluted compounds except dispersion was overestimated, which is due to the limitation of the software used.

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Abbreviations

c i :

i=1, 2 or 3. Concentration of Components 1 or 2 in the fluid phase, kg.m−3

D L orD x :

Axial dispersion coefficient, m2.s−1

D y :

Radial diffusion coefficient m2.s−1

d p :

The diameter of the particles in porous media, m

K i :

i=2 or 3. The adsorption equilibrium coefficient of Components 1, 2, or 3

k i :

i=1, 2 or 3. The mass transfer coefficient of components 1, 2 or 3, s−1

L :

The length of the column, m

N :

Theoretical number of plate

p :

Pressure, Pa

q i :

i=1, 2 or 3. The concentration of Components 1 or 2 in the solid phase, kg.m−3

t :

Time, s

u, ν:

The horizontal and the vertical fractions of velocity, m.s−1

W 0.5 :

The half width of an eluted peak, m

x, y :

The horizontal and the vertical coordinates, m

α:

Permeability, m2

ε, εT :

Bed voidage and total porosity, respectively

η:

Viscosity, 10P or (kg.m−1.s−1)

μ:

The first moment/average retention time, s

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Authors and Affiliations

  1. Department of Chemical and Environmental Engineering, National University of Singapore, 10 Kent Ridge Crescent, 119260, Singapore, Singapore

    Y. X. Wu, X. Wang & C. B. Ching

Authors
  1. Y. X. Wu
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  2. X. Wang
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  3. C. B. Ching
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Wu, Y.X., Wang, X. & Ching, C.B. Computational fluid dynamics simulation of the adsorption separation of three components in high performance liquid chromatography. Chromatographia 55, 439–445 (2002). https://doi.org/10.1007/BF02492274

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  • DOI: https://doi.org/10.1007/BF02492274

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