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considerably large. For example, for hydrogen, in both adsorbents, the estimated values are obtained with the highest level of uncertainty when compared with the other components. Relatively to the parameters estimated for the activated carbon layer, the final value obtained for carbon dioxide is the one associated with a smaller uncertainty. All the parameters estimated for the remaining components in the activated carbon layer have a high level of uncertainty. However, the estimated parameters for the zeolite layer exhibit a higher level of certainty when compared with the values from the activated carbon layer. With the aim of obtaining parameters with a higher level of certainty the final values obtained in the previous simulation were used as an initial guess for a new simulation with the same constant variance. Only a major iteration was required to obtain the new estimations. The results obtained were equal to the ones in the first estimation. The fact that the values obtained were the same as the initial values provided to gPROMS® means that these LDF coefficients are the optimal values that could be obtained by gPROMS® considering the initial guesses provided. A breakthrough simulation was performed employing the LDF coefficients obtained through the parameter estimation with the aim of comparing the curves with the experimental ones. The analysis of Figure 4.18 shows that the breakthrough curves obtained in this simulation are in accordance with the ones obtained with the LDF coefficients suggested in the literature and with the experimental curves [31]. Figure 4.18 – Comparison of the experimental data with the simulation results employing the LDF coefficients obtained through the parameter estimation In the previous parameter estimations it was assumed that the lower and upper bond were the same for all the parameters .However, given that the experimental data seen through the literature review present in chapter 2 for mixtures with the same components as the ones being used, an idea of the magnitude of each parameter for each component can be made. Taking this into consideration, a new estimation is going to be performed with the same Pressure Swing Adsorption for Hydrogen Purification 1 0,8 0,6 0,4 0,2 0 H2 exp. H2 CH4 exp CH4 CO2 exp. CO2 N2 + CO exp. CO+N2 10 100 1000 time (s) Modelling and Simulation 41 molar fractionPDF Image | PRESSURE SWING ADSORPTION FOR THE PURIFICATION OF HYDROGEN
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