Chemical Engineering Science, Vol.137, 188-204, 2015
Rigorous modeling of CO2 absorption and chemisorption: The influence of bubble coalescence and breakage
In this study, the impact of bubble breakage and coalescence (B&C) on the mass transfer and on the temporal evolution of species concentration during absorption and chemisorption is investigated. For this purpose, the CO2 absorption in water and the CO2 chemisorption in NaOH solutions of various initial pH serve as model cases. A three-dimensional Euler-Lagrange algorithm is used for the handling of the gaseous and the liquid phase in a model (simulation) of a laboratory-scale bubble column. The algorithm accurately forecasts the mean and fluctuating liquid velocities and predicts the bubble size distribution reasonably well. The results show that B&C critically impact mass transfer, liquid phase mixing, as well as reaction rates in systems with low to moderately large pH. In contrast, for extremely high pH values, shrinkage of bubbles becomes the dominating phenomenon. This is because bubble shrinkage leads to small bubbles, low gas hold-up, as well as little liquid phase agitation in the upper part of the reactor. Consequently, the relevance of B&C events decreases gradually with increasing pH. A plot of the results as function of the overall pH illustrates that a regime change occurs close to pH 12.5. This transition is caused by a dramatic reduction of the gas hold-up, leading to a significant reduction of liquid-phase agitation. (C) 2015 Elsevier Ltd. All rights reserved.
Keywords:Computational fluid dynamics;Euler-Lagrange simulation;Large Eddy simulation;Absorption;Chemisorptions;Bubble break-up and coalescence