Advances in Modeling Adsorption and Adsorption Processes

Incremental improvements in computing power and process simulation software, as well as concerns over sustainability and cost of chemical processes, has brought adsorption technology back to the forefront of research in the last several decades. Academics and industrial practitioners alike need guidance on methods for modeling these processes, particularly for historically difficult processes like pressure swing adsorption. This dissertation seeks to help fill this role by discussing advances in modeling adsorption processes in steady-state simulators from thermodynamics to process systems engineering. A tiered modeling methodology for PSA is recommended to make modeling more accessible for engineers. A shortcut model for simulation of PSA processes is proposed, based solely on mass and energy balances, which uses the concept of “adsorption efficiency” to account for non-ideal behavior which occurs during operation. The model is then used in a simulation task to demonstrate its potential, and transient simulations are used to investigate the behavior of the model’s parameters. An additional model based on equilibrium countercurrent stages is prepared to model a related gas separation process, and the applicability of efficiency concepts is investigated. Lastly recommendations for models for heterogeneous adsorbents were made based on their theoretical and practical merits.

Embargo status: Restricted until 01/2028. To request the author grant access, click on the PDF link to the left.