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Although a considerably high number of points is being provided to gPROMS® it was considered that with such amount of data a better estimation could be obtained, despite the fact that the simulation time would increase significantly. 4.4.1.1 Parameter Estimation with a variance of 0.05 The first set of data was obtained considering a random probability, a mean equal to zero and standard deviation of 0.05. When introducing the experimental data for the parameter estimation, gPROMS® requires a value for the variance. For the following simulation a constant variance of 0.05 was considered. Considering that carbon dioxide is the last component to breakthrough (breakthrough time ≅ 4500) the measured data for the present parameter estimation is considered till 𝑡 = 5500 𝑠 with the purpose of having the breakthrough of all components present in the mixture. Figure 4.17 below shows the experimental data introduced in gPROMS® and the major iterations performed by this tool for the hydrogen, in order to obtain the estimated parameters present in Appendix 5 (Table 5.12). Although it is possible to obtain a graphical representation of all iterations performed by gPROMS®, it was agreed to obtain only the main results considering that, with this option, the amount of time required to perform each parameter estimation is reduced when compared with the estimation which provides all the iterations. For this situation, two major iterations were required by gPROMS® to obtain the desired parameters. Figure 4.17 – Experimental data and major iterations performed by gPROMS® for the parameter estimation The analysis of these results shows that the final values obtained through the parameter estimation tool are close to the original values present in the respective literature [31]. However, when the analysis is made concerning the confidence intervals, it can be seen that the range of the confidence intervals associated with some of the estimated parameters is Pressure Swing Adsorption for Hydrogen Purification 1,1 1 0,9 0,8 0,7 0,6 0,5 Experimental data initial iteration 1: Major iteration 2: Major iteration 0 1000 2000 3000 time (s) 4000 5000 Modelling and Simulation 40 molar fraction (H2)PDF Image | PRESSURE SWING ADSORPTION FOR THE PURIFICATION OF HYDROGEN
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