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Investigation of CO2 Sorption Mechanisms in Isothermal Columns via Transient Material and Energy Balance PDE Models

Yang, Manda, Wang, Linxi, Kamali Shahri, Seyed Mehdi, Rioux, Robert M., Armaou, Antonios
Industrial & engineering chemistry process design and development 2018 v.57 no.31 pp. 10303-10314
calorimetry, carbon dioxide, convection, energy balance, mass spectrometry, models, process design, sorption, temperature
The behavior of an isothermal packed bed sorption column for CO₂ is investigated based on combined mass spectrometry and calorimetry temporal measurements at different temperatures. The inclusion of the calorimetry data stream at multiple temperatures accentuates the limitations of our previous spatiotemporal model with a simple sorption mechanism to describe the experimental observations. We propose four models, which consider dispersion and convection with different descriptions of the sorption mechanism. The unknown parameters in the models are determined by minimizing the integral in time of the squared difference between model prediction and the experimental measurements. Analyzing the simulation results for thermodynamic consistency and site density, we conclude physical sorption followed by chemical sorption is a probable mechanism to describe the specific experiment data. We also conclude a combination of multiple measurement streams is required to verify the consistency of proposed mechanisms and establish a clear(er) macroscopic description of the underlying physicochemical phenomena.