New Implementation of CAPE-OPEN Thermo 1.1 in ProSim’s Software #476 – Experiences with CAPE-OPEN Interfaces 2008 AIChE Annual Meeting: Philadelphia, PA

New Implementation of CAPE-OPEN Thermo 1.1 in ProSim’s Software


#476 – Experiences with CAPE-OPEN Interfaces

2008 AIChE Annual Meeting: Philadelphia, PA

Olivier Baudouin, Stéphane Dechelotte, Alain Vacher

www.prosim.net

CAPE-OPEN Thermo 1.1 in ProSim’s Software – 2008 AIChE annual meeting - Philadelphia – November 16-21, 2008

Outline

Simulis® Thermodynamics Overview

ProSimPlus® Overview

ProSim’s Software and CAPE-OPEN: Main Milestones

ProSim’s Software and CAPE-OPEN: Demos

Demo 1a: Unit Socket (using Thermo 1.0)

Demo 1b: Unit Socket (using Thermo 1.1)

Demo 2: Simulis® Thermodynamics as a Bridge

Conclusion

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Simulis®

Thermodynamics

ProSimPlus, ProPhyPlus 2…ProSimPlus, ProPhyPlus 2…

Native libraryNative library

Simulis® Thermodynamics

Software component

for computing

thermodynamic

properties and phase

equilibria on pure

substances

or mixtures

in Microsoft® Excel,

MATLAB® or any

application

Transport properties

(Cp, µ, λ, σ…)

Compressibility properties

(Z, Cp/Cv…)

Thermodynamic properties

(H, S, U…)

Non ideal properties

(γ, Φ)

Derivatives of the properties wrt

temperature, pressure, composition

Simulis®

Thermodynamics

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A wide set of thermodynamic models

Equations of StateSoave-Redlich-Kwong (SRK)Peng-Robinson (PR)Predictive Peng Robinson 78 (PPR78)Lee-Kesler-Plöcker (LKP)Benedict-Webb-Rubin modified Starling (BWRS)Nakamuraetc…

Activity coefficients modelsNRTLUNIQUACUNIFACsWilsonetc…

Combined approach models (EoS/GE)MHV2MHV1PSRKetc…

Specific systemsPure Water (NBS/NRC steam tables - IAPS,1984)

Chao-Seader, Grayson-Streed

Sour-WaterCarboxylic acidsFormaldehydeetc…

ElectrolytesEdwardsUNIQUAC electrolyteULPDHSAmines and acid gasesetc…

The various available methods have been selected to cover a wide field of applications: oil & gas, fine chemicals, etc…

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Data regression of pure components experimental properties

A full set of services available

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An interactive calculation service


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Graphical display of properties on temperature, pressure or composition ranges

0

10

20

30

40

50

60

70

80

90

100

110

120

130

140

100 200 300 400 500

Pre

ssur

e

Temperature

Phase envelope

Pressure (atm)Critical point

200

300

400

500

600

0 10 20 30 40

Temperature (K)

Molar entropy (cal/mol/K)

TS diagram


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Generation and export of property tables (PSF files to HTFS, PVT files to OLGA…)


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Generation and export of property tables (PDS files to HTFS, PVT files to OLGA…)

Calculation of petroleum fractions properties


D 2887

Simulated distillation

Set of components, weight composition

ASTM D86 corrected

Results of ASTM D86 distillation

TBP at 760 mmHg

TBP at 10 mmHg

ASTM D1160 at low pressure

ASTM D1160 at 760 mmHg

ASTM D1160 at 10 mmHg

Properties estimation

Simulation results

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Generation and export of property tables (PDS files to HTFS, PVT files to OLGA…)

Calculation of petroleum fractions properties

Management of UNIFACs versions

Estimation of pure component properties

Unit conversions management tool

etc…


Provide user with quite all tools required for thermodynamics analysis

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Microsoft® ExcelMicrosoft® Excel

MATLAB®MATLAB® P.M.E. CAPE-OPEN(Aspen Plus, Hysys, ProII…)

P.M.E. CAPE-OPEN(Aspen Plus, Hysys, ProII…)

…"know-how" …"know-how"

Thermodynamic expertThermodynamic expert

ProSimPlus, ProPhy Plus…ProSimPlus, ProPhy Plus…

Calculation kernel

« Client » applications

PlugCAPE-OPEN

ToolboxMATLAB

A.P.I.(C++, VB…)

MicrosoftExcel

Add-In

Specific library

"Socket"CAPE-OPEN

"Socket"RefProp

Expert Mode VBScript

DLL)

Simulis®

Thermodynamics


Simple and standardized development frameworkIntegrate know-how (new one or existing one)•Standardized integration structure (entry point, user parameters)•Validated development framework for integration and exploitation

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Property Packages(Multiflash, PPDS…)

Property Packages(Multiflash, PPDS…) RefProp

RefProp




Calculation kernel

« Client » applications

PlugCAPE-OPEN

ToolboxMATLAB

A.P.I.(C++, VB…)

MicrosoftExcel

Add-In

Specific library

"Socket"CAPE-OPEN

"Socket"RefProp


DLL)

Simulis®

Thermodynamics


www.prosim.net






Property Packages(Multiflash, PPDS…)

Property Packages(Multiflash, PPDS…) RefProp

RefProp




Calculation kernel

« Client » applications + Export services:

PSF (Aspen TASC)

PVTSim (OLGA) …

PlugCAPE-OPEN

ToolboxMATLAB

A.P.I.(C++, VB…)

MicrosoftExcel

Add-In

Specific library

"Socket"CAPE-OPEN

"Socket"RefProp


DLL)


Simulis®

Thermodynamics

www.prosim.net


ChemicalReactions

Unit Operation

Models

Steady State Simulation & Optimization

Simulis®

Thermodynamics

Process engineering software

Rigorous mass and energy balance

Wide range of industrial steady state processes

Unit Operation

Models

ChemicalReactions

NumericalTools

Plate Fin Heat Exchangers

Reactive distillation

Rate Based Multistage Separators

Instantaneous

Equilibrated

Kinetic controlled

Complex

Highly non ideal mixtures

Numerous recycle loops

Very large flowsheets

Numerical methods adapted to each unit operation

Analytical derivatives widely used

Plug Flow Reactors

Continuous Stirred Tanks Reactors

Distillation columns…

Windows standards

Very intuitive use

Ergonomics so as to propose solutions as simple and intuitive as possible

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Steady State Simulation & Optimization

Aspen TASC (PSF file)

OLGA (PVT file)

ProSim EQUIPMENT DATA SHEET

Date : Rev. Prepared by :

INTERNALS DATA SHEET

1 Vessel number :

2 Service :

3 Column designed with 15 theorical trays.

4 Description of operation :5 Tray location TOP= 2 3 4 BOTTOM = 146 VAPOR TO TRAY7 Temperature °C 177,51 180,45 181,07 211,248 Pressure b abs 15,86 15,89 15,91 16,189 Density kg/m3 27,32 28,56 28,84 45,57

10 Molecular weight g/mole 57,00 59,26 59,69 84,1611 Rate kg/hr 1720,62 1943,21 1989,19 28551,1712 Rate m3/h 62,98 68,04 68,98 626,4813 LIQUID FROM TRAY14 Temperature °C 160,82 177,51 180,45 211,1315 Viscosity CP 0,15 0,14 0,13 0,1116 Density kg/m3 618,33 598,52 594,95 557,0617 Surface tension Dynes/cm 8,57 7,18 6,94 4,6218 Rate kg/hr 1638,38 1860,96 1906,95 59349,5319 Rate m3/hr @ Temp. 2,65 3,11 3,21 106,5420 Foaming tendency21

22 INTERNALS23 Column I.D. inches *24 Packet Height, ft. *25 Internals type & size *26 Surface area m2/m3 (Packing only) *27 Minimum Wetting Rate m3/h/m2 *28 Pressure drop Allow./calc. Bar xxx / *29 Approximate dry bulk density * Packing factor *30 DESIGN CONDITIONS31 Capacity : mini 60% of nominal flow rate maxi 120% of nominal flow rate32 maxi capacity shall be at 80% of flooding point ( * )33 Total pressure drop Allow./ calc. bar : xxx / *34 Design Temperature °C : Design pressure bar : 35

36 INTERNALS37 Demister Type: 38 Distributor Type: * Tray No. 2 Top of bed39 Liquid redistributor Type: *40 Feed device Type: * Tray No. xxx41 Packing support Plate Type: * Tray No. xxx42 Liquid Redistributor Type: *43

44 MATERIALS45 Packing material : xxxxx Corrosion Allowance, mm. : 046 Internals material : xxxxxxx Corrosion Allowance, in. : 047 Packing & internals weight kg : *

48

49 REMARKS / NOTES50 ( * ) indicates data to be provided / confirmed by vendor if necessary

T1

Cyclohexane Plant

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Outline








Conclusion

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Main milestones: Simulis® Thermodynamics

March 2005 First commercial release 1.0

Thermodynamic Plug & Socket CAPE-OPEN 1.0

February 2006 Handling of a 2nd liquid phase

Extension of CAPE-OPEN specifications 1.0

March 2008 Release 1.3


www.prosim.net


August 2006 ProSimPlus® 2.x release

Simulis® Thermodynamics integration


October 2006 Unit Socket CAPE-OPEN 1.0

U.O. compliant with CAPE-OPEN Thermodynamic 1.0

Information Object: a CAPE-OPEN real parameter

April 2008 Unit Socket CAPE-OPEN 1.0

U.O. compliant with CAPE-OPEN Thermodynamic 1.1


November 2008 ProSimPlus® 3.x release

Information Object: a CAPE-OPEN collection of CAPE-OPEN parameters

Main milestones: ProSimPlus®

www.prosim.net


Outline








Conclusion

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Pro

Sim

Plu

s

®

Demo 1a - Unit Socket (using Thermo 1.0)

CAPE-OPENUnit Operation 1.0

input material ports output material ports

other ports(information & energy)

Material Objects 1.0

Sim

ulis

®

The

rmod

ynam

ics

TP VL flash an C1/C2 mixture

• an external thermodynamic package: RefProp• external CO compliant flash UO: CousCous (COCO)

www.prosim.net


Pro

Sim

Plu

s

®

Demo 1b - Unit Socket (using Thermo 1.1)





Sim

ulis

®

The

rmod

ynam

ics

Same simple example as previous one• Thermodynamic CAPE-OPEN standards 1.1

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Pro

Sim

Plu

s

®

Demo 2 - Simulis® Thermodynamics as a bridge





CAPE-OPENThermo

Property Package Version 1.0

Sim

ulis

®

The

rmod

ynam

ics

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CAPE-OPEN Thermo 1.1: tests performed

Tests have been successfully performed (with help of CO-

LaN) with all the software implementing this new

standard:

COCO COFE (Socket)

COCO TEA (Plug)

VMG Thermo (Plug & Socket)

Multiflash (Plug)

COMSOL (Socket)

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Concluding remarks

Simulis® thermodynamics is a comprehensive tool

full set of property models and services

extended databases and robust flash algorithms

… and a framework to welcome existing thermodynamic models or to develop new ones in view to use them in other applications

…implementing CAPE-OPEN standards 1.0 and 1.1 (plug & socket)

…allowing seamless integration in many codes

All the services available in Simulis® Thermodynamics become available in the embedding application

Any application embedding Simulis® Thermodynamics automatically inherits from its CAPE-OPEN standard compliance

ProSimPlus is CAPE-OPEN compliant 1.0 for unit operation and 1.0 and 1.1 for thermodynamics thanks to Simulis® Thermodynamics integration



#476 – Experiences with CAPE-OPEN Interfaces

2008 AIChE Annual Meeting: Philadelphia, PA

Olivier Baudouin, Stéphane Dechelotte, Alain Vacher

Documents

New Implementation of CAPE-OPEN Thermo 1.1 in ProSim’s Software #476 – Experiences with CAPE-OPEN Interfaces 2008 AIChE Annual Meeting: Philadelphia, PA