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Abstract Hydrogen has been extensively explored in the past years as an alternative source of energy due to environmental concerns and economical motivations. The properties of the considered component and, the fact that it is obtained and employed in the course of several industrial chemical processes, increased the motivation for the purification of hydrogen. In this work, gPROMS® tool is going to be employed for the simulation of the adsorption step from a Pressure Swing Adsorption process used to purify hydrogen. Two isotherm models are being introduced to the adsorption libraries of this tool with the aim of validating the multilayer adsorption bed model, recently added to the adsorption libraries present in gPROMS®. The validation of the Langmuir-Freundlich multilayer isotherm model is done by using breakthrough experiments with binary mixtures of H2/CH4, H2/CO and H2/CO2 and, a five component mixture composed by H2/CH4/CO2/CO/N2. Breakthrough simulations are performed with this model for different feed pressures, feed flow rates and different activated carbon ratios. The results are then compared with experimental data from the literature. The Multisite Langmuir multilayer isotherm model is added the Adsorption libraries present in gPROMS and simulations with a five component mixture of H2/CH4/CO2/CO/N2 are performed. The loading profile of CH4 as well as the temperature through the adsorption bed, at the end of the feed step, is analyzed and the simulation results are compared with data from the literature. The Parameter Estimation tool is also employed in this work with the aim of estimating the Linear Driving Force coefficients as well as the parameters of the Multisite Langmuir isotherm. These estimations are performed with the purpose of evaluating the ability of this tool in predicting the desired parameters and also, the quality of the parameters provided by it. Pressure Swing Adsorption for Hydrogen PurificationPDF Image | PRESSURE SWING ADSORPTION FOR THE PURIFICATION OF HYDROGEN
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