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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

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

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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

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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)

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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, )

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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, 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.

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DTU, Technical University of Denmark 7 New features

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DTU, Technical University of Denmark 8 New features

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DTU, Technical University of Denmark 9 New features

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DTU, Technical University of Denmark 10 New features

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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

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DTU, Technical University of Denmark 12 Runs in… COCO

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

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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)

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DTU, Technical University of Denmark 15 PhD course Thermodynamic Models: Fundamentals & Computational Aspects January 2009 Michael Michelsen and Jørgen Mollerup –More on

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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

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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 R 2 NH R 2 NH R 2 NCOO – By courtesy of Jostein Gabrielsen

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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

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

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

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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

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

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

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

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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)

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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).

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DTU, Technical University of Denmark 27 Thank you for your attention.

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