CAPE-OPEN at IVC-SEP

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

DTU, Technical University of Denmark 2

IVC-SEP

Mærsk Olie og Gas AS

Welltec

http://www.total.com/ho/en/index.htm

http://www.sqm.com/ingles/


Overview

• IVC-SEP ThermoSystem– A short update on the ThermoSystem

• CO2 absorber– General theory– CAPE-OPEN way– Results


Models involved

• ThermoSystem contains – CPA, – PC-SAFT, – SRK and PR

• CPA and PC-SAFT are associating models (H-bonds)


Model parameters

• SRK and PR are 3-parameter modelsa0 energy b co-volumec1 correlation (T-dependence on a0)

• Based on the critical properties (Tc,Pc,)


Model parameters

• CPA is a 5-parameter modela0 energy b co-volumec1 correlation (T-dependence on a0) 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.


New features


New features


New features


New features


Runs in …

• Aspen2-phase flashacetic acid 0.40water 0.40benzene 0.20

at T = 130 C andP = 3.5 bar


Runs in…

• COCO


Runs in…

• PRO/II


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)


PhD course

Thermodynamic Models:Fundamentals & Computational Aspects

January 2009

Michael Michelsen and Jørgen Mollerup

– More on www.ivc-sep.kt.dtu.dk

http://www.ivc-sep.kt.dtu.dk/


CO2 absorber

• Contribute to the development of efficient CO2 capture for coal-fired power plants

• 1/3 of man-made CO2

from generation of electricity• Denmark mainly coal• Keep electricity infrastructure


Technology

CO2

Alkanolamine

Flue gas

Clean Flue Gas

Simplified flow-sheet for CO2 Capture using Alkanolamines

Absorption of CO2 from coal fired power plants with aqueous solutions of alkanolamines

Chemical reactions

CO2 + 2 R2NH

<=>

R2NH2+ + R2NCOO–

OHN

H

HOH

CH3 NH2

By courtesy of Jostein Gabrielsen


Absorber

Flue gasw. CO2

Amine rich

Amine lean

Clean flue gasHeight = 4.36 mDiameter = 15 cm

dll


Setting-up the ODEs


Setting-up the ODEs


Boundary value problem• Example

• Numerical solutionby collocation(Shampine et al.)

-3

-2

-1

0

1

2

3

4

0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1

t

x an

d y x(t)

y(t)BCs

-3

-2

-1

0

1

2

3

4

0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1

t

x an

d y x(t)

y(t)BCs

-3

-2

-1

0

1

2

3

4

0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1

t

x an

d y x(t)

y(t)BCs

Available on the web: Shampine, Muir, and Xu A user-friendly FORTRAN BVP solver


Results

• Implementation in Aspen• COCO


Results from CO2 absorber


AMPFull – vapourDash - liquid

Temperature profile in tower


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)


Acknowledgement• Members of the Chigp project

– BP (UK/US), – Maersk Oil and Gas (Denmark), – Statoil (Norway), and – TOTAL (France)

• Members of the CO2 capture project– DONG (Denmark) and – Vattenfall (Denmark/Sweden).


Thank you for your attention.

[email protected]

mailto:[email protected]

Documents

CAPE-OPEN at IVC-SEP