Treffer: Construction and Formulation of Calculation Models for Thermal Swing Adsorption Reactor Modelling: Application in Post-Combustion Carbon Capture

Carbon dioxide capture from combustion-based energy production emissions is one potential method for climate change mitigation and adsorption-based post-combustion carbon capture is currently under research as a potential technology. The main objective of this thesis was to construct and formulate suitable calculation models for the purpose of modelling a thermal swing adsorption reactor in post-combustion carbon capture from flue gas. In the process, the adsorption step would be conducted at a low temperature of 283 K, while the desorption step would include a high temperature carbon dioxide rich purge gas as the desorption medium. The models to be built were chosen to be a one-dimensional Python-based model and a two-dimensional computational fluid dynamics model using Ansys Fluent software with user-defined functions being utilized. As an initial step, a vast literature review was conducted in order to gain knowledge on the basics of adsorption and adsorption processes, the most important adsorption process parameters and indicators, as well as thermal swing adsorption in the context of post-combustion carbon capture. Literature review also preceded the model construction process, as the heat and mass transfer models for the one-dimensional calculation model and the adsorption isotherm models and parameters for both calculation models were gathered from previous studies in the field. Following the literature review, the construction process of the calculation models began, which included a significant amount of trial-and-error. First, the one-dimensional model was built, followed by the two-dimensional model. After both models were deemed to represent the behavior of a thermal swing adsorption reactor, the calculations were conducted with relevant data gathered from the calculations. After the calculations, the data from both models were compared and analyzed. The adsorption step results were considered to be comparable, as the results from the both models were very similar. In the desorption step, however, ...