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4 Modelling and Simulation In this chapter all the adjustments and improvements made to some of the current models in gPROMS® libraries’ are presented as well as the results obtained and the motivations to do so. The new models are tested with data from the literature presented in chapter 2 of this work, providing the possibility of comparing the simulation results with experimental data. 4.1 Breakthrough model validation A model that allows the prediction of the breakthrough time in a PSA process is very important for the industries in use of this technology. Recently, a multilayer adsorption bed model was added to gPROMS® libraries, however this model was validated using a custom isotherm. The standard Langmuir and Langmuir-Freundlich isotherms were not yet used for a multilayer process simulation. As it was mentioned before in chapter 3 of the present work (section 3.2.8), different isotherm models exist in gPROMS® libraries and could be employed for adsorption processes employing one layer of adsorbent. Considering that breakthrough simulations concerning an adsorption bed with more than one layer of adsorbent are going to be performed, these models need to be improved in order to be applied to multilayer processes. The breakthrough process used for all the simulations (see Figure 4.1) consists in one source, one sink, two reversible valves and one multilayer adsorption bed. In the source, the composition of the feed is specified as well as the feed temperature, feed pressure and feed flow rate. The valves allow maintaining the desired pressure inside the column while the sink is where the product’s composition specification is defined as well as the product pressure and temperature. In the adsorption bed dialog box it is also possible to define the initial composition inside the column, the initial temperature and the pressure inside the column. It is also in the mentioned dialog box that the properties of the bed and the adsorbent are specified. Likewise, the isotherm being employed in the process is chosen and its parameters are defined. The tabs present in the dialog box associated with the adsorption bed can be seen in Figure 4.1. In order to have the new isotherm models working properly, it was required to add some changes to some of the existing models needed for the PSA process simulation. The models profiting from these changes, the changes made and reasons for it are mentioned below in this section, as well as the results from the simulations performed resorting these models. Pressure Swing Adsorption for Hydrogen Purification Modelling and Simulation 17PDF Image | PRESSURE SWING ADSORPTION FOR THE PURIFICATION OF HYDROGEN
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