Slide 1

RAPID PROTOTYPING OF UNIT OPERATION MODELS USING GENERIC TOOLS AND CAPE-OPEN

Jasper van Baten, AmsterCHEM

Michel Pons, CO-LaN

Slide 2

Presentation outline
Why custom models? Why CAPE-OPEN? What is involved? Short-cut: Matlab and Scilab Short-cut: Excel Unit Operation Current status

Slide 3

Why CAPE-OPEN?
Simulation environment process space

overall process model

CAPE-OPEN interfaces

proprietary sub proprietary sub built-in models models unit operations

user sub models user sub models user unit operations (non CAPE-OPEN) (non CAPE-OPEN) (non CAPE-OPEN)

3rd party sub models 3rd partyparty models 3rd sub unit (CAPE-OPEN) (CAPE-OPEN) operations (CAPE-OPEN)

Slide 4

Why CAPE-OPEN?
Use of multiple simulation software in company Validation of simulation results Bargaining position with respect to simulation vendor Model distribution

Slide 5

CAPE-OPEN: what is involved?

Unit Operation
ICapeIdentification ICapeUtilties ICapeUnit ICapeUnitReport Error interfaces

Port collection
ICapeIdentification ICapeCollection Error interfaces

Parameter collection
ICapeIdentification ICapeCollection Error interfaces

Ports
ICapeIdentification ICapeUnitPort Error interfaces

Parameters
ICapeIdentification ICapeParameter ICapeParameterSpec ICapeTYPEParameterSpec Error interfaces

Slide 6

CAPE-OPEN: what is involved?

Material stream, version 1.0
ICapeIdentification ICapeThermoMaterialObject Error interfaces

Energy or information stream

ICapeIdentification ICapeCollection Error interfaces

Material stream, version 1.1

ICapeIdentification ICapeThermoMaterial ICapeThermoCompounds ICapeThermoPhases ICapeThermoPropertyRoutine ICapeThermoEquilibriumRoutine ICapeThermoUniversalConstant Error interfaces

Parameters
ICapeIdentification ICapeParameter ICapeParameterSpec ICapeTYPEParameterSpec Error interfaces

Slide 7

CAPE-OPEN: what is involved?

COM server Implementation of the Unit Operation objects Deal with CAPE-OPEN interfaces exposed by streams Solution routines All in an efficient manner A shortcut to model prototyping and testing is welcome

Slide 8

Two-step development:

evaluate our model equations we require access to thermodynamics evaluate the final process model requires running as Unit Operation inside simulation environment

Slide 9

Interactive thermodynamic access:

Matlab or Scilab: script based Interactive or batch script processing Load third party thermodynamics Access to: Compounds and compound data Phases and phase descriptions Thermodynamic property calculations Thermodynamic equilibrium (Flash) calculations

Slide 10

Slide 11

handle=capeOpenGetPackage ('Multiflash Property Package Manager','WATER-N-BUTANOL'); frac=(0:0.01:1)'; X=[frac 1-frac]; P=[1e3:1e3:1e4]; tbub=[]; tdew=[]; for p=P tbub=[tbub capeOpenEquilibriumProp(handle,'temperature', ... X,'pressure',p,'vaporFraction',0)]; tdew=[tdew capeOpenEquilibriumProp(handle,'temperature', ... X,'pressure', p,'vaporFraction',1)]; end;

Slide 12

Implementation as a Unit Operation:

Slide 13

Implementation as a Unit Operation:

Slide 14

Implementation as a Unit Operation:

Slide 15

Implementation as a Unit Operation:

Slide 16

Excel based Unit Operation:

Slide 17

Excel based Unit Operation:

Slide 18

Excel based Unit Operation:

Slide 19

Current status:
Matlab and Scilab Thermo Import utilities Matlab and Scilab Unit Operation utilities Excel Unit Operation utility Available free-of-charge for non-commercial use All use CAPE-OPEN thermo version 1.1 Thermo tested with TEA / Multiflash / Simulis Unit operations tested in COFE / ProSimPlus Examples are available online and in help

http://www.amsterchem.com/

Slide 20

Download COCO: http://www.cocosimulator.org/ Forum: http://capeopen.forumer.com/ Interoperability testing program: http://www.cocosimulator.org/index_compliancy.html

Slide 21

HTRI EPA WAR / Xchanger Suite ChemSep 6.24 .NET libraries 5.0

SolidSim 1.1

VMG Thermo 5.0

COMSOL Multiphysics 3.5

PSE gPROMS 3.1.3

TUV-NEL PPDS v4.1.0.0

Props 1.0

ANSYS Fluent 6.3.26 APECS

Simsci-Esscor CosmoLogic Pro/II 8.3 CosmoTherm ProSimPlus 2.1 / Simulis 1.3 C21

Infochem Multiflash 3.8

DIGITEO Scilab 5.1.1