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4.4.1 Parameter estimation of the LDF coefficients for the process using Langmuir- Freundlich isotherm The following parameter estimation is being performed for the breakthrough process employing the Langmuir-Freundlich multilayer isotherm, with the aim of estimating the LDF coefficients for each component in each layer of adsorbent, considering the influence of this parameter in the breakthrough curve. An initial guess is also required for all the parameters being estimated, as well as, upper and lower bounds for each parameter. These values are given in the following Table 4.4. The values used as initial guess for the LDF coefficients are similar to the ones provided in the literature, once that the closer the initial guesses are to the values, the faster is the parameter estimation procedure. Table 4.4 – Initial values for the LDF coefficients LDF coefficients, 𝜔 Pressure Swing Adsorption for Hydrogen Purification Components Hydrogen Methane Carbon Dioxide Carbon Monoxide Nitrogen Activated carbon 0.65 0.15 0.03 0.12 0.2 Zeolite Lower bound 0.65 0 0.13 0 0.011 0 0.05 0 0.1 0 Upper bound 1 1 1 1 1 The data being used as measured data for the parameter estimation consists in the breakthrough data obtained from the validations made with the Langmuir-Freundlich for the five component mixture and, with a column with two layers, one of activated carbon and the other of zeolite, both with equal lengths (section 4.2.2.2 of this work). With the aim of turning this process in a more realistic situation, the mentioned data is going to be subject to some treatment through the addition of noise. For this matter, Microsoft Excel was used and the noise was obtained resorting to the NormInv function. The noise obtained with the excel function was then added to the molar fraction values from the breakthrough simulations obtained in section 4.2 of this work. Different sets of data were used in order to verify which one produced the finest estimation. With the intention of obtaining the best results possible, the data used as measured data included the breakthrough of all the components existing in the mixture, in order to provide gPROMS® with data describing the behaviour of all the components. Modelling and Simulation 39PDF Image | PRESSURE SWING ADSORPTION FOR THE PURIFICATION OF HYDROGEN
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