flowsheeting with coco rev5
TRANSCRIPT
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Slide 1
Flowsheeting with
Ross Taylor, Clarkson University
Jasper van Baten, AmsterCHEM
COCO and
Nice Logo
Please
Rev5 – Apr 14 2010
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Slide 2
Introduction to COCO
What is CAPE-OPEN?
Setting up thermodynamic property packages with TEA
Setting up flowsheets with COFE
Using ChemSep in COFE
Advanced flowsheeting features
Outline
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Slide 3
Introduction to COCO:
Simulation environment (COFE)
Thermodynamic property package (TEA)
Collection of unit operations (COUSCOUS)
Reaction package (CORN)
… and utilities
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Slide 4
Flowsheeting engines
Dynamic Steady state
Flowsheeting engines
Equation based Modular
Sequential Non-sequential
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Slide 5
proprietary sub models
proprietary sub modelsbuilt-in
sub modelsuser sub models
(non CAPE-OPEN)user sub models
(non CAPE-OPEN)user sub models
(non CAPE-OPEN)3rd party sub
models (CAPE-OPEN)
3rd party sub models (CAPE-
OPEN)
3rd party sub models
(CAPE-OPEN)
Simulation environment process space
overall process model
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Slide 6
proprietary sub models
proprietary sub modelsbuilt-in
sub modelsuser sub models
(non CAPE-OPEN)user sub models
(non CAPE-OPEN)user sub models
(non CAPE-OPEN)3rd party sub
models (CAPE-OPEN)
3rd party sub models (CAPE-
OPEN)
3rd party sub models
(CAPE-OPEN)
Simulation environment process space
overall process model (COFE)
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Slide 7
Simulation environment process space
overall process model (COFE)
3rd party sub models (CAPE-
OPEN)
3rd party sub models (CAPE-
OPEN)
3rd party thermo models
(CAPE-OPEN)
TEA3rd party sub
models (CAPE-OPEN)
3rd party sub models (CAPE-
OPEN)
3rd party unit models
(CAPE-OPEN)
3rd party sub models (CAPE-
OPEN)
3rd party sub models (CAPE-
OPEN)COUSCOUS
3rd party sub models (CAPE-
OPEN)
3rd party sub models (CAPE-
OPEN)
3rd party thermo models
(CAPE-OPEN)CORN
Thermo models Unit operation models
Reaction models3rd party sub
models (CAPE-OPEN)
3rd party sub models (CAPE-
OPEN)ChemSep
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Slide 8
COFE: CAPE-OPEN Flowsheeting Environment
Graphical flowsheeting
Graphing
Multiple models
Logging Streams view
Document Explorer
Watch bar
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Slide 9
COFE: CAPE-OPEN Flowsheeting Environment
Breaking recycles by automatic tearing
Solving recycles by hybrid Newton / Wegsteinapproach, using reparameterization
Support for multiple material types, with selection for thermo and sub-set of compounds
Material, energy and information streams
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Slide 10
• Pure compound data library (extendible, or use DIPPR)
• 100+ Property calculation methods (25+ different properties)
• Property derivatives
• Support of external propertycalculation routines and externalequilibrium servers
TEA: Thermodynamics for Engineering Applications
Thermodynamic models and compounds from ChemSep
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Slide 11
TEA: Thermodynamics for Engineering Applications
Large diversity of supported flash specifications
Inside-out approach
Post-checking of solution
Back-up full Newton approach
VLE equilibrium calculations
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Slide 12
COUSCOUS: Simple unit operations
Expander
Turbine
StreamConverter
Heater Cooler
Heat Exchanger
Mixer SplitterValve
Compressor
Pump
Equilibrium Reactor Fixed Conversion Reactor Flash
Compound Splitter
3-phase Flash
Solid Separator No Operation
?
Property Tester
ChemSep Column Model
=Information Calculator Measure Unit
CSTR
PFR
COULIS logging
cController
Flow contraintGibbs Reactor
Embedded flowsheet Excel Model Matlab or Scilab model
purge
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Slide 13
Acknowledgements:• Richard Baur• ChemSep: Ross Taylor, Harry Kooijman• CosmoTHERM: Frank Eckert• Testing: Michel Pons, Radovan Omorjan
Download COCO: http://www.cocosimulator.org/(or ask for a copy during the workshop)
Contact amsterCHEM for CAPE-OPEN consulting
Interoperability testing program:http://www.cocosimulator.org/index_compliancy.html
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Slide 14
Introduction to COCO
What is CAPE-OPEN?
Setting up thermodynamic property packages with TEA
Setting up flowsheets with COFE
Using ChemSep in COFE
Advanced flowsheeting features
Presentation outline
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Slide 15
What is CAPE-OPEN?
CAPE:
Computer Applications in Production and Engineering (source: about.com)
Computer-Aided Process Engineering (source: CO-LaN leaflet)
OPEN: Freely available standard specification
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Slide 16
What is CAPE-OPEN?
The CAPE-OPEN standard is the de facto standard for interfacing process modelling software components for use in the design and operation of chemical processes. It is based on universally recognised software technologies, such as COM and CORBA. The CO standard is open, multi-platform, uniform and available free of charge.
(Note: practical implementations restricted to COM at Windows platforms)
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Slide 17
What is CAPE-OPEN?
It is described in a formal documentation set covering areas such as unit operations, physical properties and numerical solvers, (…). In practice, it enables components supplied by third parties, such as niche physical property packages or unit operation models, to be used in “plug and play”mode in commercial process modelling software tools.
(Note: practical implementations limited to physical property packages and unit operations)
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Slide 18
What is CAPE-OPEN?
In reality this currently means:
• physical property package implementations
• unit operation implementations
• support for both of these in major simulation engines
• restricted to COM on Windows
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Slide 19
What is CAPE-OPEN?
CAPE-OPEN Laboratories Network
http://www.colan.org/
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Slide 20
What is CAPE-OPEN?Air Liquide
BASF AG
BP
DOW Chemical Company
IFP
Shell Global Solutions
TOTAL
AKZO-Nobel
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Slide 21
What is CAPE-OPEN?
44 Software vendors
24 Academic institutions
2 Administrations
7 Other members
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Slide 22
Good reasons for going CAPE-OPEN:
Wide support for process models in simulation engines
Write your software once, run in multiple environments
Validate your models by exchanging parts of your models with those of different vendors
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Slide 23
Introduction to COCO
What is CAPE-OPEN?
Setting up thermo dynamic property packages with TEA
Setting up flowsheets with COFE
Using ChemSep in COFE
Advanced flowsheeting features
Presentation outline
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Slide 24
Availability: TEA comes free-of-charge with COCO
TEA Thermo is based on ChemSep thermo
ChemSep thermo, and therefore TEA thermo, has a history of more than 10 years of validation
TEA is actively being developed by motivated people
TEA is highly configurable: compound definitions, property calculations, plugging in external routines
Reasons to use TEA
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Slide 25
TEA’s equilibrium routines current restricted to V-L systems
All CAPE-OPEN thermo is supported under COFE
Validate your results
Availability
Reasons not to use TEA
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Slide 26
Some other options
AspenProperties
SimulisThermodynamics
Virtual MaterialsGroup
InfochemMultiflash
TUV/NELPPDS
CosmoTherm
NIST REFPROP AixCAPE
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Slide 27
Configuring TEA property packages
ConfigureTEA
Packages
New package
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Slide 28
Configuring TEA property packages
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Slide 29
Configuring TEA property packages
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Slide 30
Configuring TEA property packages
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Slide 31
Configuring TEA property packages
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Slide 32
PCD Files
PCD = Pure Component Data file for ChemSep
Binary file that stores pure compound data
ChemSep1.pcd – databank with nearly 200 compounds
PCDManager – for editing and creating PCD files
Import DIPPR source file (nearly 2000 compounds)
Import data from NIST web site
Can estimate many missing properties
Fit temperature dependent properties
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Slide 33
PCD Files
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Slide 34
PCD Files
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Slide 35
PCD Files
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Slide 36
PCD Files
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Slide 37
Configuring TEA property packages
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Slide 38
Configuring TEA property packages
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Slide 39
Configuring TEA property packages
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Slide 40
Configuring TEA property packages
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Slide 41
Finally:
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Slide 42
Introduction to COCO
What is CAPE-OPEN?
Setting up thermo dynamic property packages with TEA
Setting up flowsheets with COFE
Using ChemSep in COFE
Advanced flowsheeting features
Presentation outline
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Slide 43
Empty COFE document
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Slide 44
Setting up reactions
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Slide 45
CORN: CAPE-OPEN Reaction Numerics
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Slide 46
Setting up CORN
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Slide 47
Editing a reaction package (1/4):
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Slide 48
Editing a reaction package (2/4):
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Slide 49
Editing a reaction package (3/4):
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Slide 50
Editing a reaction package (4/4):
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Slide 51
Add it to the simulation
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Slide 52
We have a reaction package:
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Slide 53
Inserting our reactor:
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Slide 54
Inserting our reactor:
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Slide 55
Inserting our reactor:
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Slide 56
Inserting our reactor:
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Slide 57
Inserting our reactor:
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Slide 58
Inserting our reactor:
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Slide 59
Inserting the reactor feed:
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Slide 60
Connecting the feed:
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Slide 61
The product stream:
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Slide 62
Specifying the feed stream:
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Slide 63
Specifying the feed stream:
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Slide 64
Reactor specifications:
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Slide 65
Reactor specifications:
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Slide 66
Reactor specifications:
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Slide 67
Reactor specifications:
Validate
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Slide 68
Calculate the reactor:
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Slide 69
Reactor results:
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Slide 70
Reactor results:
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Slide 71
Introduction to COCO
What is CAPE-OPEN?
Setting up thermo dynamic property packages with TEA
Setting up flowsheets with COFE
Using ChemSep in COFE
Advanced flowsheeting features
Presentation outline
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Slide 72
Inserting a ChemSep column:
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Slide 73
Inserting a ChemSep column:
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Slide 74
Inserting a ChemSep column:
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Slide 75
Configuring the ChemSep column:
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Slide 76
Connecting the ChemSep column:
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Slide 77
Connecting the ChemSep column:
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Slide 78
Configuring the ChemSep column:
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Slide 79
Configuring the ChemSep column:
Note: This bottom specification is just to get us started; later we will change it.
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Slide 80
We can now run the column:
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Slide 81
Checking the column results:
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Slide 82
Inserting the second column:
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Slide 83
Configuring the second column:
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Slide 84
Configuring the second column:
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Slide 85
Configuring the second column:
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Slide 86
Connecting the streams:
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Slide 87
Solving the second column:
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Slide 88
Let’s see what we get:
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Slide 89
Setting up the recycle:
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Slide 90
Setting up the recycle:
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Slide 91
Closing the recycle:
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Slide 92
Redoing the specifications for Column 1:
Note new specification
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Slide 93
Redoing the specifications for Column 1:
Note new specification
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Slide 94
The solution:
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Slide 95
Introduction to COCO
What is CAPE-OPEN?
Setting up thermo dynamic property packages with TEA
Setting up flowsheets with COFE
Using ChemSep in COFE
Advanced flowsheeting features
Presentation outline
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Slide 96
Stream types (1/3): material streams
Multiple material types (Flowsheet Configuration)
Each material type associated with Property Package
Each material type associated with list of compounds
You can connect different material types to a unit operation
StreamConverter unit
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Slide 97
Stream types (2/3): energy streams
Heat integration
Connect to energy ports
Many COUSCOUS units have energy ports
ChemSep has energy ports for column heat duty, stage heat duty, the condensor and reboiler
Energy streams have a direction, like material streams
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Slide 98
Stream types (3/3): information streams
Typically one double precision number
Numbers have a unit of measure
Can be used for measured data (MeasureUnit)
Can be manipulated (InformationCalculator)
Can be used for controllers
COFE allows exposing a parameter as information port
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Slide 99
Graphs
Temperature or pressure dependent property calculations
Phase envelopes
Binary property calculations
Parameter plots of unit operations
…
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Slide 100
Reports and graphical elements
Stream reports
Unit operation reports
Basic shapes and text
Embed OLE objects
Stream and unit operation comments
…
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Slide 101
Parametric studies
Solve the flowsheet
Choose Parametric Study from the flowsheet menu
Define inputs and their ranges
Define outputs
Solve
…
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Slide 102
Embedding flowsheets in Excel
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Slide 103
Embedding flowsheets in Excel
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Slide 104
Introduction to COCO
What is CAPE-OPEN?
Setting up thermo dynamic property packages with TEA
Setting up flowsheets with COFE
Using ChemSep in COFE
Advanced flowsheeting features
Presentation outline