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Adsorption is an indispensable technology in many industrial processes. In order to enhance the understanding of the process and to optimize its application, simulation is a useful tool. An approach to simulate adsorption of toluene from air in a fixed bed of activated carbon grains is exemplified. A 3D model of the fixed bed is generated by the discrete element method. Computational fluid dynamics simulations are carried out by the Lattice‐Boltzmann method. Numerical parameters are calibrated by matching single grain loading curves to experimental data.
Adsorption of toluene from air at activated carbon grains is simulated by CFD methods in a 3D model of a fixed bed, which is generated by the discrete element method. The simulations are validated by literature data. The results show the wall effect and an inhomogeneous loading of the adsorbent grains, which strongly depends on the local flow profile around each single grain.