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as previously done for the estimation of the LDF coefficients. To obtain the noise to be introduced to the breakthrough curve a mean of zero, a standard deviation of 0.05 and a random probability were considered for NormInv function of Microsoft Excel. The following simulations are being performed in order to estimate the parameters for the Multisite Langmuir isotherm. A constant variance of 0.05 is being considered and the initial guesses for each parameter, component and adsorbent are presented in Appendix 5 (see Table 5.16). A total of 30 parameters are going to be estimated simultaneously. Some problems arise when trying to perform the present parameter estimation related with some discontinuities in the calculation procedures. The analysis of the gPROMS® output suggested that the problems in the parameter estimation were related with the valves so it was agreed to increase the valve coefficients from 105 to 106. A total of 38 major iterations were required in order to obtain the desired parameters and they are showed in Figure 4.20. As we can see, the number of major iterations required to obtain the estimation for each parameter increased when compared with the number of major iterations required to obtain estimation for the LDF coefficients. However, when the parameters being estimated were the LDF coefficients only 10 parameters were being estimated simultaneously. Through the major iterations shown in Figure 4.20 it is possible to observe the path transverse by gPROMS® in order to find the estimations for the considered parameters. It is visible that the iteration curve tends to be more dispersive as the number of iterations increases. Figure 4.20 – Major iterations for the Multisite Langmuir isotherm parameter estimation for a constant variance of 0.05 The final values obtained for the Multisite Langmuir isotherm parameters are gathered in Appendix 5 (see Table 5.17 and Table 5.18). The analysis of these results shows that the Pressure Swing Adsorption for Hydrogen Purification 1 0,8 0,6 0,4 0,2 0 Initial Iteration 1: Major Iteration 4: Major Iteration 7: Major Iteration 10: Major Iteration 15: Major Iteration 20: Major Iteration 25: Major Iteration 30: Major Iteration 35: Major Iteration 38: Major Iteration 0 500 1000 1500 time (s) Modelling and Simulation 45 mass fraction (H2)PDF Image | PRESSURE SWING ADSORPTION FOR THE PURIFICATION OF HYDROGEN
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