Abstract: Bubble columns have a variety of applications in
absorption, bio-reactions, catalytic slurry reactions, and coal
liquefaction; because they are simple to operate, provide good heat
and mass transfer, having less operational cost. The use of
Computational Fluid Dynamics (CFD) for bubble column becomes
important, since it can describe the fluid hydrodynamics on both local
and global scale. Euler- Euler two-phase fluid model has been used to
simulate two-phase (air and water) transient up-flow in bubble
column (15cm diameter) using FLUENT6.3. These simulations and
experiments were operated over a range of superficial gas velocities
in the bubbly flow and churn turbulent regime (1 to16 cm/s) at
ambient conditions. Liquid velocity was varied from 0 to 16cm/s. The
turbulence in the liquid phase is described using the standard k-ε
model. The interactions between the two phases are described
through drag coefficient formulations (Schiller Neumann). The
objectives are to validate CFD simulations with experimental data,
and to obtain grid-independent numerical solutions. Quantitatively
good agreements are obtained between experimental data for hold-up
and simulation values. Axial liquid velocity profiles and gas holdup
profiles were also obtained for the simulation.
Abstract: Owing to the stringent environmental legislations,
CO2 capture and sequestration is one of the viable solutions to reduce
the CO2 emissions from various sources. In this context, Ionic liquids
(ILs) are being investigated as suitable absorption media for CO2
capture. Due to their non-evaporative, non-toxic, and non-corrosive
nature, these ILs have the potential to replace the existing solvents
like aqueous amine solutions for CO2 separation technologies. Thus,
the present work aims at studying the important aspects such as the
interactions of CO2 molecule with different anions (F-, Br-, Cl-, NO3
-,
BF4
-, PF6
-, Tf2N-, and CF3SO3
-) that are commonly used in ILs
through molecular modeling. In this, the minimum energy structures
have been obtained using Ab initio based calculations at MP2
(Moller-Plesset perturbation) level. Results revealed various degrees
of distortion of CO2 molecule (from its linearity) with the anions
studied, most likely due to the Lewis acid-base interactions between
CO2 and anion. Furthermore, binding energies for the anion-CO2
complexes were also calculated. The implication of anion-CO2
interactions to the solubility of CO2 in ionic liquids is also discussed.