CAPE-OPEN at IVC-SEP

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CAPE-OPEN at IVC-SEP

• Martin P. Breil
• Co-LaN Annual General Meeting Selwyn College,
  Cambridge3-4 April 2008

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IVC-SEP
Welltec
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Overview

• IVC-SEP ThermoSystem
• A short update on the ThermoSystem
• CO2 absorber
• General theory
• CAPE-OPEN way
• Results

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Models involved

• ThermoSystem contains
• CPA,
• PC-SAFT,
• SRK and PR
• CPA and PC-SAFT are associating models (H-bonds)

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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,w)

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Model parameters

• CPA is a 5-parameter modela0 energy
  b co-volumec1 correlation (T-dependence on
  a0)e asc energyb 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.,
454855, 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., 454869, 2006.
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New features
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New features
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New features
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New features
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Runs in

• Aspen

2-phase flashacetic acid 0.40water 0.40benzene
0.20 at T 130 C and P 3.5 bar
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Runs in

• COCO

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Runs in

• PRO/II

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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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PhD course

• Thermodynamic ModelsFundamentals
  Computational Aspects
• January 2009
• Michael Michelsen and Jørgen Mollerup
• More on www.ivc-sep.kt.dtu.dk

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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

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Technology
Absorption of CO2 from coal fired power plants
with aqueous solutions of alkanolamines
Chemical reactions
Clean Flue Gas
CO2 2 R2NH ltgt R2NH2
R2NCOO
Flue gas
CO2
Alkanolamine
Simplified flow-sheet for CO2 Capture using
Alkanolamines
By courtesy of Jostein Gabrielsen
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Absorber
Clean flue gas
Height 4.36 m Diameter 15 cm
Amine lean
dll
Flue gasw. CO2
Amine rich
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Setting-up the ODEs
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Setting-up the ODEs
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Boundary value problem

• Example
• Numerical solutionby collocation(Shampine et
  al.)

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

• Implementation in Aspen
• COCO

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Results from CO2 absorber
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Temperature profile in tower
AMP
Full vapour Dash - liquid
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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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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).

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• Thank you for your attention.
• mpb_at_kt.dtu.dk