1. DTU, Technical University of Denmark CAPE-OPEN at IVC-SEP Martin P. Breil Co-LaN Annual General Meeting Selwyn College, Cambridge 3-4 April 2008

2. DTU, Technical University of Denmark 2 IVC-SEP Mærsk Olie og Gas AS Welltec

3. DTU, Technical University of Denmark 3 Overview IVC-SEP ThermoSystem –A short update on the ThermoSystem CO 2 absorber –General theory –CAPE-OPEN way –Results

4. DTU, Technical University of Denmark 4 Models involved ThermoSystem contains –CPA, –PC-SAFT, –SRK and PR CPA and PC-SAFT are associating models (H-bonds)

5. DTU, Technical University of Denmark 5 Model parameters SRK and PR are 3-parameter models a 0 energy bco-volume c 1 correlation (T-dependence on a 0 ) Based on the critical properties (T c,P c,  )

6. DTU, Technical University of Denmark 6 Model parameters CPA is a 5-parameter model a 0 energy bco-volume c 1 correlation (T-dependence on a 0 )  asc energy  asc volume factor CPA reduces to SRK when no asc. G.M. Kontogeorgis, M.L. Michelsen, G.K. Folas, S.O. Derawi, N. von Solms, and E.H. Stenby. Ten years with the CPA (Cubic-Plus-Association) equation of state. Part I. Pure compounds and self-associating systems. Ind. Eng. Chem. Res., 45:4855, 2006. G.M. Kontogeorgis, M.L. Michelsen, G.K. Folas, S.O. Derawi, N. von Solms, and E.H. Stenby. Ten years with the CPA (Cubic-Plus-Association) equation of state. Part II. Cross- associating and multicomponent systems. Ind. Eng. Chem. Res., 45:4869, 2006.

7. DTU, Technical University of Denmark 7 New features

8. DTU, Technical University of Denmark 8 New features

9. DTU, Technical University of Denmark 9 New features

10. DTU, Technical University of Denmark 10 New features

11. DTU, Technical University of Denmark 11 Runs in … Aspen 2-phase flash acetic acid0.40 water0.40 benzene0.20 at T = 130 C and P = 3.5 bar

12. DTU, Technical University of Denmark 12 Runs in… COCO

13. DTU, Technical University of Denmark 13 Runs in… PRO/II

14. DTU, Technical University of Denmark 14 Conclusions on ThermoSystem Finally compliant with PRO/II (8.0.3). Only contains a PT flash algorithm. Comments to PRO/II –It is not possible to produce phase envelopes of CO- packages (but the built-in ones)

15. DTU, Technical University of Denmark 15 PhD course Thermodynamic Models: Fundamentals & Computational Aspects January 2009 Michael Michelsen and Jørgen Mollerup –More on www.ivc-sep.kt.dtu.dkwww.ivc-sep.kt.dtu.dk

16. DTU, Technical University of Denmark 16 CO 2 absorber Contribute to the development of efficient CO 2 capture for coal-fired power plants 1/3 of man-made CO 2 from generation of electricity Denmark mainly coal Keep electricity infrastructure

17. DTU, Technical University of Denmark 17 Technology CO 2 Alkanolamine Flue gas Clean Flue Gas Simplified flow-sheet for CO 2 Capture using Alkanolamines Absorption of CO 2 from coal fired power plants with aqueous solutions of alkanolamines Chemical reactions CO 2 + 2 R 2 NH R 2 NH 2 + + R 2 NCOO – By courtesy of Jostein Gabrielsen

18. DTU, Technical University of Denmark 18 Absorber Flue gas w. CO 2 Amine rich Amine lean Clean flue gas Height = 4.36 m Diameter = 15 cm dll

19. DTU, Technical University of Denmark 19 Setting-up the ODEs

20. DTU, Technical University of Denmark 20 Setting-up the ODEs

21. DTU, Technical University of Denmark 21 Boundary value problem Example Numerical solution by collocation (Shampine et al.) Available on the web: Shampine, Muir, and Xu A user-friendly FORTRAN BVP solver

22. DTU, Technical University of Denmark 22 Results Implementation in Aspen COCO

23. DTU, Technical University of Denmark 23 Results from CO 2 absorber

24. DTU, Technical University of Denmark 24 AMP Full – vapour Dash - liquid Temperature profile in tower

25. DTU, Technical University of Denmark 25 Conclusion on Unit Operations Once the legacy code is provided, it is straightforward to produce a CO-version Unfortunately, the engineers at the power plants do not use CO-compliant PMEs. (They build on in-house simulators)

26. DTU, Technical University of Denmark 26 Acknowledgement Members of the Chigp project –BP (UK/US), –Maersk Oil and Gas (Denmark), –Statoil (Norway), and –TOTAL (France) Members of the CO 2 capture project –DONG (Denmark) and –Vattenfall (Denmark/Sweden).

27. DTU, Technical University of Denmark 27 Thank you for your attention. mpb@kt.dtu.dk