Modeling Pressure Swing Adsorption Using Computational Fluid Dynamics

Abstract

A multi-dimensional computational fluid dynamics model was developed using OpenFOAM to simulate pressure swing adsorption. The model incorporates momentum conservation equations for the fluid phase, and species and energy conservation equations for the fluid and solid phase. A linear driving force model is used for non-isothermal adsorption coupling. The model was tested by simulating adsorption of CO2 from a 10% by volume CO2 balance N2 gas stream onto zeolite 13X. The simulation results compared well with published experimental data, predicting breakthrough time within 1% and temperature variations within 6°C. Some deviations from experimental breakthrough behaviour were observed, likely resulting from the assumptions made about heat dissipation from the system. The multi-dimensional model was also compared to one-dimensional simulations, and small differences between temperature and concentration values were observed. Model predictions were sensitive to the radial and axial dispersion coefficients, effective solid phase thermal conductivity, and heat and mass transfer coefficients.