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analysed considering that the temperature profile for the binary mixture of hydrogen and carbon dioxide was not provided by the literature [31]. According to the loading profile on Figure 4.8, carbon dioxide was not adsorbing in the zeolite layer, which explains the earlier breakthrough of this component. Taking this into consideration, the values of the variables involved in the calculation of the 𝑞𝑒𝑞𝑖 of carbon dioxide were evaluated for the zeolite layer. Figure 4.8 – Breakthrough of the H2/CO2 mixture at 10 atm and a feed flow rate of 6.8 SLPM and respective loading profile for t = 1400 s According to the output provided by gPROMS® in the end of each simulation, the loading of CO2 in the zeolite is zero due to the calculation of the parameter 𝑏𝐶𝑂2,2. A value of zero was being calculated for the parameter 𝑏𝐶𝑂2,2 for the zeolite layer, resulting in a loading equal to zero in this layer. With the aim of understanding the reasons for the zero value associated with this parameter, the calculations related with 𝑏𝐶𝑂2,2 were analysed. The fact that carbon dioxide was adsorbing only in the activated carbon layer lead us to consider that the issues of the zeolite layer could be related to the parameters used for the CO2 in this layer. With the purpose of confirming it, and after some analysis of the parameters from similar isotherms, it was noticed that the order of magnitude of 𝑘3 for the CO2 in the zeolite layer wasn’t in agreement with the observations made in the literature. It was decide therefore to use 𝑘3 = 1.578 ( 1 ) for the next simulation, rather than 𝑘3 = 1.578 × atm 10−4 ( 1 ) in order to observe the impact of this change in the breakthrough time of 𝑎𝑡𝑚 hydrogen. This value was obtained from a work from the same author of the considered literature [38]. The results presented on Figure 4.9 showed that the breakthrough time is now much closer to the experimental data. However, a higher deviation of the simulation results for the H2/CO2 mixture is observed when compared with the other mixtures used in the previous simulations. Pressure Swing Adsorption for Hydrogen Purification 1 0,95 0,9 0,85 0,8 0,75 0,7 gPROMS simulation's result Experimental data 0 400 800 1200 time (s) 3,5 3 2,5 2 1,5 1 0,5 0 0 0,2 0,4 0,6 0,8 1 z Modelling and Simulation 28 molar fraction (H2) qCO2(mol/kg)PDF Image | PRESSURE SWING ADSORPTION FOR THE PURIFICATION OF HYDROGEN
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