Lattice-Boltzmann Simulation of Lipase Separation via Bioaffinity Chromatography: Imposing Dirichlet or Danckwerts Inlet Condition

Lipase bioseparation can be achieved via biospecific affinity chromatography (BAC), whose governing equations need numerical methods. BAC load step has been simulated via lattice Boltzmann method (LBM) by imposing Dirichlet condition to fluid-phase adsorbate concentration at column inlet. One may instead impose Danckwerts condition and the goal of this work was to compare breakthrough curves simulated via LBM under each condition above. A dynamic 1-D model was adopted comprising Langmuir adsorption-desorption kinetics and convective-diffusive transport. D1Q2 lattice was used and particle distribution functions were assigned to adsorbate concentrations in fluid and solid phases. Numerical breakthrough curves were compared with experimental data and the expected “S” shape was reproduced in LBM simulations. In convective-dominant scenarios no clear effect was noted when one condition type was replaced by the other. Differences became evident in diffusion-dominant scenarios and Danckwerts inlet condition should be imposed in diffusion-dominant scenarios as experimental data were simulated better.