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negligible, thermal equilibrium between adsorbents and bulk flow, the flow pattern is described by the axially dispersed plug-flow model and that the mass transfer rate is represented by a linear driving force (LDF) model. 4.2.1 Langmuir-Freundlich isotherm modeling The Langmuir-Freundlich isotherm considered in the aforementioned work is described by equation (4.3) and the required values for the calculation of the correspondent parameters for each component in each adsorbent are displayed in Appendix 3 (see Table 5.4). where 𝑞𝑚,𝑖 = 𝑘1 + 𝑘2𝑇, 𝐵 = 1+∑𝑛 𝐵𝑃 𝑗=1 𝑗 𝑗 The model containing the Langmuir-Freundlich isotherm consists in two FOR DO cycles of calculations as was previously done for the multilayer model. However, inside these two cycles are now the equations that allow the calculation of the parameters for the Langmuir- Freundlich isotherm. As in the multilayer model, the heat of adsorption is provided as a parameter and its distribution is in the number of layers and in the components of the feed mixture. As it can be seen through equation (4.3), heat of adsorption is not an implicit variable in the given equation. However, this variable is required for the other models connected to the isotherm. For this reason, heat of adsorption is provided by the user through the isotherm dialog box in order to be used later by the other models without the need of introducing changes in the mentioned models. The given variables 𝑘1, 𝑘2, 𝑘3, 𝑘4𝑘5 and 𝑘6 are distributed as arrays of components and number of layers while the isotherm parameters 𝑞𝑚,𝑖,𝐵𝑖 and 𝑛𝑖 have a distribution in the components and in the axial dimension. The assumption of an axial distribution for the isotherm parameters was made due to the temperature dependence of those, as it is shown in the equations that allow their calculation. To permit the user to enter the parameters for the isotherm using the dialog, some changes had to be made to the model interface. New fields were added to the dialog interface allowing the user to introduce all the information required for the specification of the Langmuir-Freundlich isotherm. Fields for each 𝑘 were introduced as well as a field for the heat of adsorption. The dialog interface for the multilayer Langmuir-Freundlich isotherm is displayed in Appendix 3 (see Figure 5.2). Pressure Swing Adsorption for Hydrogen Purification 𝑞𝑚,𝑖𝐵𝑖𝑃𝑛𝑖 𝑞𝑖= 𝑖 𝑛𝑗 (4.2) 𝑘3 exp (𝑘4), and 𝑛𝑖 = 𝑘5 + 𝑘6. 𝑇𝑇 Modelling and Simulation 22PDF Image | PRESSURE SWING ADSORPTION FOR THE PURIFICATION OF HYDROGEN
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