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4.2.2 Langmuir-Freundlich multilayer isotherm validation To simulate a breakthrough experiment the bed and adsorbent properties, the physical property package for the fluid and the assumption used in the simulation for mass and heat transfer should be specified. This information is taken from the work used for the model validation and it is gathered in Appendix 3 (sections 3.1 and 3.2) [31]. As it was mentioned previously in section 3.2.5, different types of diffusion processes may be considered. For the present validation all the different processes were tested and the one providing the best fit was chosen. The Linear Driving Force coefficients were assumed to be constant, while the diffusivities of each component were assumed to vary inversely with the system’s pressure. The feed temperature and the initial temperature inside the bed were assumed to be 303 K as well as in the product sink. For every simulation performed it was considered that the bed was initially filled with pure hydrogen as mentioned in the literature [31]. The first simulations being performed were the ones where the feed was composed by binary mixtures. This was done considering that it was easier to compare results with a lower number of component and that there are less interactions between components when compared to the five component mixtures. For all the simulations performed in the present work the Centered Finite Difference Method (CFDM) is being employed. 4.2.2.1 Binary mixtures breakthrough simulations The influence of the feed pressure and feed flow rate were initially studied for two binary mixtures. The input conditions are showed in Table 4.3 and the results from the simulations are presented for each mixture separately. Table 4.3 – Input conditions Composition Feed pressure (atm) Feed flow rate (SLPM) Pressure Swing Adsorption for Hydrogen Purification H2:CH4 (70%:30%) H2:CO (70%:30%) 10 4.5 6.8 9.1 4 10 16 6.8 Modelling and Simulation 23PDF Image | PRESSURE SWING ADSORPTION FOR THE PURIFICATION OF HYDROGEN
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