Computational Modelling and Optimisation of Carbon Capture Reactors, Daniel Sebastiá Sáez, Cranfield University - UKCCSRC Strathclyde Biannual 8-9 September 2015

1. CFD modelling of a post-
combustion CCS
absorber
Daniel Sebastià
PhD student
Supervisor: Prof. Sai Gu
s.gu@surrey.ac.uk

2. Presentation
outline
Project
goal
Project
goal
How to model
the absorber?
The three-scales
strategy
How to model
the absorber?
The three-scales
strategy
Results:
micro-scale
meso-scale
macro-scale
Results:
micro-scale
meso-scale
macro-scale
Conclusions
and
publications
Conclusions
and
publications

3. Project goal
To develop a CFD tool to compare the
performance of structured packings

4. How to model the
absorber? The
three scales
strategy
Micro-scale:
2D
simulations
Interface
tracking
Micro-scale:
2D
simulations
Interface
tracking
Meso-scale:
Small set of
REUs. Dry
pressure drop
Meso-scale:
Small set of
REUs. Dry
pressure drop
Macro-scale:
Porous medium.
Liquid
dispersion
Macro-scale:
Porous medium.
Liquid
dispersion

5. MICRO-SCALE
Novelty: Implementing reaction kinetics and
interface tracking at 3D domains
Daniel Sebastià (PhD student)
d.sebastiasaez@cranfield.ac.uk

6. Hydrodynamics:
liquid
maldistribution

7. Influence of liquid
maldistribution on
absorption rate
(no chemistry)

8. Reactive mass
transfer

9. Enhancement
factor vs. MEA
concentration

10. MESO-SCALE
Novelty: implementing interface tracking in
commercial geometries (MontzPak B1-250)
Daniel Sebastià (PhD student)
d.sebastiasaez@cranfield.ac.uk

11. Implementing the
VOF method at
meso-scale
70#m2/m3## 0.307#s## 0.454#s## 0.548#s##
c#
180 m2/m3 0.142 s 0.283 s 0.360 s
e

12. Liquid hold-up vs.
liquid load

13. Interfacial area vs.
liquid load

14. Wet pressure drop

15. MACRO-SCALE
Novelty: implementing liquid dispersion within
high void fraction porous media
Mohammad Ashraf Hossain (PhD student)
m.a.hossain@cranfield.ac.uk

16. Liquid dispersion
Said et al. 2011
CFD present work
z = 0.32 m
z = 0.48 m
z = 0.74 m

17. Liquid dispersion
Without dispersion
With dispersion
(Fourati et al. 2012)

18. Liquid dispersion
z = 0.32 m

19. Conclusions
The present model successfully represents:
• CO2-MEA reaction kinetics
• Liquid maldistribution and dispersion
• Liquid hold-up
• Effective area
• Pressure drop

20. PUBLICATIONS:
1. D. Sebastia-Saez, S. Gu, P. Ranganathan, K. Papadikis. 3D modelling of hydrodynamics
and physical mass transfer characteristics of liquid film flows in structured packing elements.
International Journal of Greenhouse Gas Control, 19:492-502, 2013.
2. D. Sebastia-Saez, S. Gu, P. Ranganathan, K. Papadikis. Micro-scale CFD study about the
influence of operative parameters on physical mass transfer within structured packing
elements. International Journal of Greenhouse Gas Control, 28:180-188, 2014.
3. D. Sebastia-Saez, S. Gu, P. Ranganathan. Volume of fluid modelling of the reactive mass
transfer of CO2 into aqueous amine solutions in structured packed elements at micro-scale.
Energy Procedia, 63: 1229-1242, 2014.
4. D. Sebastia-Saez, S. Gu, P. Ranganathan, K. Papadikis. Micro-scale CFD modelling of
reactive mass transfer in falling liquid films within structured packing materials. International
Journal of Greenhouse Gas Control, 33: 40-50, 2015.
5. D. Sebastia-Saez, S. Gu, P. Ranganathan, K. Papadikis. Meso-scale CFD study of the
pressure drop, liquid hold-up, interfacial area and mass transfer of structured packing
materials. International Journal of Greenhouse Gas Control. Accepted.

21. THANK YOU,
ANY QUESTIONS?