Simulis-Dechelotte-ProSim-Thermodynamik Kolloquium Erlangen

Transcription

"Thermodynamik-Kolloquium" und
"Ingenieurdaten"
24. - 26. September 2008, Universität
Erlangen-Nürnberg
SIMULIS® THERMODYNAMICS, JUST ONE
MORE THERMODYNAMIC PACKAGE ?
APPLICATION: MODELING OF
FORMALDEHYDE-WATER-METHANOL SYSTEM
AND PROPERTIES PREDICTION WITH
IMPLEMENTED EoS/GE MODELS
Olivier Baudouin, Stéphane Déchelotte, Alain Vacher
ProSim SA
Stratège Bâtiment A
BP 27210
F-31672 LABEGE Cedex
France
E-mail: info@prosim.net
Web: www.prosim.net
SIMULIS® THERMODYNAMICS
www.prosim.net
Software component
for computing thermophysical
Simulis
Thermodynamics
properties and phase
equilibria on pure substances
or mixtures
in MS-Excel®, MATLAB® or
other applications
Simulis® Thermodynamics, just one more thermodynamic package?
"Thermodynamik-Kolloquium" und "Ingenieurdaten" 24. - 26. September 2008, Universität Erlangen-Nürnberg
1
OUTLINE
www.prosim.net
What is included in Simulis® Thermodynamics
Example of EoS/GE models
How can you use Simulis® Thermodynamics
Example of formaldehyde process
How can you enrich Simulis® Thermodynamics
Concluding remarks
www.prosim.net
WHAT IS INCLUDED IN
SIMULIS® THERMODYNAMICS ?
Databases
(pure, BIP)
Thermodynamic
Functions
To compute thermo-physical properties
2
THERMO-PHYSICAL PROPERTIES SUPPORTED
www.prosim.net
Transport properties
Isobaric specific heat (Cp)
Dynamic viscosity
Cinematic viscosity
Thermal conductivity
Density
Molar Volume
Molar density
Surface tension
Molecular weight
Thermodynamic properties
Enthalpy (H)
Entropy (S)
Internal energy (U)
Isochoric specific heat (Cv)
Enthalpy of vaporization
Non-ideal properties
Activity coefficients
Fugacity coefficients and Fugacity
Ln of fugacity coefficients
Henry's constant
Compressibility properties
Compressibility factor
Gamma (Cp/Cv ratio)
Derivatives of the properties with respect to
Sound speed
temperature, pressure and number of moles
Joule-Thomson coefficient
are also given
www.prosim.net
WHAT IS INCLUDED IN
Databases
(pure, BIP)
Thermodynamic
Functions
Flashes
(LV, LLV,
LL,...)
To compute phase equilibria
3
FLASHES SUPPORTED
www.prosim.net
T P ω V H S U
Liquid-Vapor equilibria
T
Bubble and dew temperatures and pressures
P
Flash at given temperature (T) and pressure (P)
ω
Flash at given vaporization ratio (ω) and P (or T)
V
Flash at given enthalpy (H) and P (or T, or V, or U)
Flash at given entropy (S) and P (or T, or V, or H, or U) H
Flash at given internal energy (U) and P (or T, or V)
S
Flash at given volume (V) and P (or T)
U
Phase envelope
Liquid-Liquid-Vapor equilibria
RVP (Reid Vapor Pressure)
Bubble temperature
TVP (True Vapor Pressure)
Flash at given enthalpy and pressure
Flash at given temperature and
Liquid-Liquid equilibria
pressure
Flash at given temperature and pressure
Flash at given vaporization ratio and
pressure
www.prosim.net
WHAT IS INCLUDED IN
Databases
(pure, BIP)
Thermodynamic
Functions
Flashes
(LV, LLV,
LL,...)
4
PURE COMPONENT PROPERTIES & BIP
www.prosim.net
Pure component properties:
Supplied with a database of over 2 000 components
including AIChE's DIPPR® database
125 constant properties (molar weight, critical temperature,…)
16 temperature dependant properties (Cp, Pi°, λ, ∆Hvap …)
All the properties of pure components can be accessed,
modified, plotted,…
Binary Interaction Parameters:
When required (NRTL,
UNIQUAC,…) BIP supplied
for a number of systems
www.prosim.net
WHAT IS INCLUDED IN
Databases
(pure, BIP)
Thermodynamic
Functions
Thermodynamic
Modelss
Flashes
(LV, LLV,
LL,...)
5
A WIDE SET OF THERMODYNAMIC MODELS
www.prosim.net
Combined approach models
MHV2
MHV1
PSRK
etc…
Equations of State
Soave-Redlich-Kwong (SRK)
Peng-Robinson (PR)
Predictive Peng-Robinson (PPR78)
Lee-Kesler-Plöcker (LKP)
Benedict-Webb-Rubin modified Starling (BWRS)
Nakamura
PC-SAFT
etc…
Specific systems
Pure Water (NBS/NRC steam tables - IAPS,1984)
Chao-Seader, Grayson-Streed
Sour-Water
Carboxylic acids
Formaldehyde
etc…
Activity coefficients models
NRTL
UNIQUAC
UNIFACs (Larsen, Dortmund,…)
Wilson
etc…
Electrolytes
Edwards
UNIQUAC electrolyte
ULPDHS
Amines
etc…
New methods are continuously implemented
to cover a wide field of applications: oil &
gas, fine chemicals, etc…
EoS/GE MODELS
www.prosim.net
Principle : an equation of state is used to cover the whole fluid
domain. This EoS includes sophisticated mixing rules based
on activity coefficient models:
• Equation of State (CEoS)
SRK
fi ( T, P, z ) = ∅ i ( T, P, z ) zi P
PR
• Activity coefficient model
Wilson
NRTL
UNIQUAC
UNIFACs
• Mixing rules
MHV1
H ( T, P, z ) = ∑ zi H*i
i
( T, P = 0 ) + ( H - H*
) T, P
Combine advantages of EoS approach
(the whole fluid domain is covered) with
advantages of GE models (highly non-ideal
liquid phase can be tackled)
MHV2
PSRK
6
EoS/GE MODELS: ACETONE-WATER
www.prosim.net
Acétone - Eau
Comparaison des résultats Simulis Thermodynamics avec des valeurs expérimentales
Griswold, J. Wong, S.Y, Chem. Eng. Prog. Symp. Series, 48, N°3 (1952)
1200
1000
Courbe de bulle calculée à 150°C
Courbe de rosée calculée à 150°C
Pression (Psi)
800
Courbes de bulle expérimentales
600
Courbes de rosée expérimentales
400
200
0
0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1
Fraction molaire en acétone
SRK, MHV2 and NRTL are used
BIP identified with experimental values at 1 atm can be used to investigate
high pressure domains
EoS/GE MODELS: ETHANOL-WATER
www.prosim.net
2,5
Ethanol (1) / water(2)
Comparison of MHV2 in SimulisThermodynamicsTM with experimental results
Barr-David,F. and B.F.Dodge, J.Chem.Eng.Data, 4, 107 (1959)
2
300 °C
250 °C
log P [bar]
1,5
200 °C
1
150 °C
0,5
0
0
0,1
0,2
0,3
0,4
0,5
0,6
0,7
0,8
0,9
1
x1, y1
SRK, MHV2 and UNIFAC Larsen are
used: fully predictive model
Prediction is pretty good even for isotherms over Tc of ethanol (~240 °C)
7
EoS/GE MODELS: CO2 -ETHANE
www.prosim.net
Comparaison of experimental critical locus of CO2 - C2H6 mixture with Simulis Thermodynamics
TM
S. Horstmann, K. Fischer, J. Gmehling, P. Kolar, J. Chem. Therm., 32, 451-464 (2000)
7.5
7
Pressure / MPa
6.5
Exp.
PR alpha B&M + PSRK UNIFAC + PSRK Mixing Rules
Predictive Peng-Robinson 1978 (PPR78)
6
5.5
5
4.5
290
292
294
296
298
300
302
304
306
Temperature / K
Predictions with both PPR78 (Jaubert et al.) and PSRK (Gmehling et al.) are
satisfactory
www.prosim.net
WHAT IS INCLUDED IN
To select components in
the databases
or to configure the
property model
Graphical
User
Interface
Databases
(pure, BIP)
Thermodynamic
Functions
Thermodynamic
Modelss
Flashes
(LV, LLV,
LL,...)
The various available methods can be
combined to model a specific system
8
www.prosim.net
WHAT IS INCLUDED IN
Graphical
User
Interface
Databases
(pure, BIP)
Set of
Services
Thermodynamic
Functions
Thermodynamic
Modelss
Flashes
(LV, LLV,
LL,...)
FULL
ET OF SERVICES
AVAILABLE
A fullAset
ofSservices
available
www.prosim.net
An interactive calculation service
9
FULL
ET OF SERVICES
AVAILABLE
A fullAset
ofSservices
available
www.prosim.net
Graphical display of properties on temperature, pressure or
composition ranges
TS diagram
Temperature (K)
600
500
Phase enve lope
140
130
400
120
110
100
300
90
Pres sure
80
70
200
0
60
10
20
30
40
Molar entropy (cal/mol/K)
50
40
30
20
10
0
100
200
300
400
500
Temperature
Pressure (atm)
Critical point
FULL
ET OF SERVICES
AVAILABLE
A fullAset
ofSservices
available
www.prosim.net
composition ranges
Calculation of petroleum fractions properties
10
FULL
ET OF SERVICES
AVAILABLE
A fullAset
ofSservices
available
www.prosim.net
composition ranges
Management of group contribution methods versions
Several versions are supported:
•
•
•
•
•
•
UNIFAC original
UNIFAC (Dortmund) modified
UNIFAC (Dortmund) LL
UNIFAC (Lyngby) modified Larsen
UNIFAC formaldehyde
PPR78
A group contribution models editor is supplied
ROUP
ONTRIBUTION
MODELS EDITOR
A fullGset
ofCservices
available
www.prosim.net
To rapidly integrate a
new matrix
To modify parameters
(ri, qi) of selected
groups
To add new groups or
sub-groups
11
FULL
ET OF SERVICES
AVAILABLE
A fullAset
ofSservices
available
www.prosim.net
composition ranges
Management of UNIFAC versions
Estimation of pure component properties
Data regression of pure components experimental properties
Unit conversions management tool
etc…
All these services become automatically available in
any software embedding Simulis® Thermodynamics
WHAT IS INCLUDED IN
www.prosim.net
Graphical
User
Interface
Databases
(pure, BIP)
Set of
Services
Simulis
Thermodynamics
Thermodynamic
Functions
Thermodynamic
Modelss
Flashes
(LV, LLV,
LL,...)
Simulis® Thermodynamics have a "heavy" content
12
OUTLINE
www.prosim.net
Concluding remarks
www.prosim.net
SIMULIS® THERMODYNAMICS CAN BE USED
WITHIN PROSIM SOFTWARE SUITE
Since Simulis® Thermodynamics
is a software component it must
be embedded in other application
ProSim
ProSim
Software
Software
Suite
Suite
Simulis
Thermodynamics
Simulis® Thermodynamics is the thermodynamic "heart"
of all ProSim software suite
13
EXAMPLE OF FORMALDEHYDE PROCESS
www.prosim.net
Formaldehyde is highly reactive and commonly handled in
solutions with water and/or methanol
Mixtures of formaldehyde with water and/or methanol are
complex to model since formaldehyde reacts with both of them
Model proposed by Pr. Gerd Maurer (Kaiserslautern Unversity)
has been implemented in Simulis® Thermodynamics
[1]
Michael Albert, Baudilio Coto Garcia, Cornelius Kreiter and Gerd Maurer
Vapor-Liquid and Chemical Equilibria of Formaldehyde-Water Mixtures
AIChE Journal, September 1999, Vol. 45, N°9, pp 2024 -2033
[2]
Michael Albert, Baudilio Coto Garcia, Christian Kuhnert, Roger Peschla and Gerd Maurer
Vapor-Liquid Equilibrium of Aqueous Solutions of Formaldehyde and Methanol
AIChE Journal, August 2000, Vol. 46, N°8, pp 1676-1 687
[3]
Y.Q. Liu, H. Hasse and Gerd Maurer
Enthalpy Change on Vaporization of Aqueous and Methanolic Formaldehyde Solutions
AIChE Journal, November 1992, Vol. 38, N°11, pp 169 3-1702
CHEMICAL REACTIONS INVOLVED
www.prosim.net
Formation of methylene glycol (MG)
CH2 O + H2 O ⇔ HO(CH2 O)H
Formation of polyoxymethylene glycols (MGn)
n≥2
HO(CH2 O)n−1 H + HO(CH2 O)H ⇔ HO(CH2 O)n H + H2 O
Formation of hemiformal (HF)
HO(CH2 O)H + CH3OH ⇔ CH3 O(CH2 O)H + H2 O
Formation of polyoxymethylene hemiformals (HFn)
n≥2
CH3O(CH2 O)n−1 H + CH3 O(CH2 O)H ⇔ CH3O(CH2 O)n H + CH3OH
14
SILVER CATALYST PROCESS SIMULATED
WITH PROSIMPLUS
www.prosim.net
Process water
Steam
Reactor feed
Air
Air compressor
Off-gas
WS
Distillation column
Vaporizer
Compressed air
Reactor
Methanol
Absorber
SPEC
Formol 06
Methanol pump
Fresh methanol
Liquid methanol
AAA
1
Formol 04
WS
Formol 05
WS
Formol 03
Reactor Product
Formol 07
Formol 02
Formol Product
Formol 01
WS
Recycled Methnol
Polyoxymethylene glycols are taken into account up to MG5 - HO(CH20)5H
Polyoxymethylene hemiformals are taken into account up to HF5 - CH3(OCH2)5OH
SYSTEM MODELING
www.prosim.net
Gas
MG + Me HF + W
FA + W MG
FA
W
Me
Mg
Vapor phase: ideal but chemical
equilibria taken into account
(Formation of methylene glycol and
HF
formation of hemiformal)
Liq
FA
W
Me
Mg
HF
FA + W MG
MGn-1 + Me MGn + W
MG + Me HF + W
HFn-1 + HF HFn + Me
Liquid phase:
• real chemical reactive mixture (water, methanol, formaldehyde, methylene
glycol,polyoxymethylene glycols, hemiformal and polyoxymethylene hemiformals)
• non-ideality taken into account applying a specific UNIFAC
Vapor-liquid equilibrium described by extended Raoult's law
Specific enthalpy calculation method (taking into account the oligomer
distribution in the liquid phase)
15
www.prosim.net
EXAMPLE OF RESULTS OBTAINED WITH
Concentration of hemiformal (HF) and
poly(oxymethylene) hemiformals HF2 and HF3 in
chemical equilibria at 276 K.
Partition coefficient of formaldehyde at 333K and 383 K
and ξ FA = 0.01 g.g-1 ( 383 K,  333 K).
0,6
2
HF
1,5
xi / mol.mol-1
(ỹ/x)FA / mol.mol
-1
0,4
1
0,2
HF2
0,5
HF3
0
0
0
0,25
0,5
0,75
1
0
0,1
0,2
0,3
0,4
0,5
xFA / mol.mol-1
x* ME / mol.mol-1
Partition coefficient of FA in the
FA-water-methanol system
Concentration of HF, HF2 and HF3
in chemical equilibria at 276 K
www.prosim.net
WITHIN MS-EXCEL
Thermodynamic
functions are added
to Microsoft® Excel
…and used in
spreadsheets as
native functions…
…to perform more
or less complex
engineering
calculations (with
rigorous
thermodynamics)
MS-Excel
MS-Excel
Add-In
Add-In
ProSim
ProSim
Software
Software
Suite
Suite
Simulis
Thermodynamics
Thermodynamics
DPP
16
www.prosim.net
WITHIN MATLAB
MS-Excel
Add-In
ProSim
Software
Suite
MATLAB
Toolbox
Simulis
Thermodynamics
Rigorous thermodynamics became available in MATLAB®
without further programming effort
www.prosim.net
SIMULIS® THERMODYNAMICS CAN EXPORT
RESULT FILES TO OTHER PACKAGES
MS-Excel
Add-In
ProSim
Software
Suite
Tabulated results to :
MS-Excel
MATLAB
Toolbox
Simulis
Thermodynamics
Export
files
Aspen TASC (PSF file)
OLGA (PVT file)
17
www.prosim.net
WITHIN YOUR SOFTWARE
A complete Application Programming Interface (API) is also provided
Visual Basic
C++
MS-Excel
Add-In
Delphi
MATLAB
Toolbox
FORTRAN
ProSim
Software
Suite
C#
etc…
Simulis
Thermodynamics
Export
files
Simulis® Thermodynamics
can be easily embedded in
any application supporting
the COM/DCOM technology
A.P.I.
Your software
(C++, VB, FORTRAN,…)
www.prosim.net
WITHIN CO COMPLIANT PACKAGES
However, with the
A.P.I, the interface
MS-Excel
Add-In
between the
MATLAB
Toolbox
embedding
application and
Simulis®
ProSim
Software
Suite
Simulis
CAPEOPEN
"plug"
Modeling tool
implementing
CO
Thermo
Socket
Aspen Plus, ProII,
Aspen HYSYS,
HTRI, gPROMS …
Thermodynamics
Thermodynamics
must be coded
Export
files
A.P.I.
18
CO THERMODYNAMIC PLUG
www.prosim.net
Ability to generate CAPE-OPEN
"Property Packages" to be used
within compliant modeling tools
Thermo 1.0 and Thermo 1.1 are implemented
Client
Software
Successfully tested in
Aspen Plus
Aspen Hysys
PRO/II
gPROMS®
Xist (HTRI)
UNISIM Design
COCO COFE
Belsim VALI
INDISS
COMSOL
etc…
CO Property
Package
generated by
Simulis®
Simulis®
Microsoft® Excel
ProSimPlus, Thermodynamics
MATLAB, etc
Thermodynamics
www.colan.org
Modeling tool
implementing
CO
Thermo
Socket
Aspen Plus, ProII,
Aspen HYSYS,
HTRI, gPROMS …
The thermo of ProSim can be used in software without satisfactory thermo routines
A thermo expert can prepare with Simulis® Thermodynamics the model for a complex
system, and provide it to his/her colleagues for further "safe" use in their traditional
simulation tool (Aspen Plus, ProSimPlus,…)
www.prosim.net
WITHIN DPP
Since parameters must be
identified with the model
where they will be used, DPP
does not contain any
thermodynamic model
Tool for regression of
model parameters
(from Dechema)
MS-Excel
Add-In
ProSim
Software
Suite
MATLAB
Toolbox
Simulis
CAPEOPEN
"plug"
Thermodynamics
DPP
Export
files
A.P.I.
Allows simultaneous regression of several experimental
data types for instance: VLE + LLE + HE + γ∞ + Azeotropes
19
www.prosim.net
THE WORKFLOW WITH
Within DPP
Specify problem
Selection of compounds
Selection of models
Direct access to Simulis®
Thermodynamics "calculators" editor
Databases
DETHERM,
DIPPR, TRC,
In-house, etc…
Raw data
Client
software
CAPE-OPEN
compatible
modeling
environment
(AspenPlus, HTRI, gPROMS, …)
Load raw data
Optimize
DPP optimizer
(models and VLE flashes)
The thermo model
which better fits the
experimental data for
the considered system
Simulis
CAPE-OPEN
Compliant
Property
Package
Generate a "Simulis
Thermo Package"
MS-Excel,
MATLAB,
ProSimPlus, etc
®
Thermodynamics
www.prosim.net
SIMULIS® THERMODYNAMICS CAN BE USED IN
A NUMBER OF WAYS
MS-Excel
Add-In
ProSim
Software
Suite
MATLAB
Toolbox
Simulis
CAPEOPEN
"plug"
Modeling tool
implementing
CO
Thermo
Socket
Aspen Plus, ProII,
Aspen HYSYS,
HTRI, gPROMS …
Thermodynamics
DPP
Tabulated results to :
MS-Excel
Aspen TASC (PSF file)
OLGA (PVT file)
Export
files
A.P.I.
Your software
20
OUTLINE
www.prosim.net
Concluding remarks
www.prosim.net
YOU CAN ENRICH SIMULIS® THERMODYNAMICS
WITH YOUR COMPONENTS
New components can be added and properties modified
estimation methods included
regression of experimental data tool provided
Existing in-house property databases can also be included
(interface format supplied)
Simulis
Thermodynamics
Databases
import
In-house DB
Cp ρ
λ σ µ
∆H kij
21
www.prosim.net
YOU CAN USE OTHER COMMERCIAL
THERMO PACKAGES WITHIN SIMULIS®
THERMODYNAMICS
External
software able
to generate
CO packages
CAPEOPEN
"socket"
Simulis
Thermodynamics
(Aspen Properties,
Multiflash,
PPDS,…)
Databases
import
CO THERMODYNAMIC SOCKET
www.prosim.net
www.colan.org
Ability to use an external
thermodynamic model
(CAPE-OPEN "Property
Package")
Successfully tested with
Multiflash (Infochem)
PPDS (TUV-NEL)
Aspen Properties (AspenTech)
COM Thermo (AspenTech)
Thermo 1.0 and Thermo 1.1 are implemented
IVCSEPThermoSystem (IVC-SEP)
COCO TEA (AmsterCHEM),
etc…
External
software able
to generate
CO packages
(Aspen Properties,
Multiflash,
PPDS,…)
External
CAPE-OPEN
Property
Package
Simulis®
Client
Software
Thermodynamics
MS-Excel
ProSimPlus,
MATLAB, etc
If required, a third party commercial thermo package can be used within any
application embedding Simulis® Thermodynamics
22
www.prosim.net
YOU CAN USE YOUR OWN THERMO PACKAGE
WITHIN SIMULIS® THERMODYNAMICS
Your thermo
Here the interface must be
specifically developed by
ProSim team
Specific
library
A good option if you have a
big code and you don't want to
CAPEOPEN
"socket"
Simulis
Thermodynamics
take care of its integration in
Databases
import
www.prosim.net
YOU CAN DEVELOP YOUR THERMO PACKAGE
WITHIN SIMULIS® THERMODYNAMICS
"Expert mode" VBScript:
a framework to easily
develop new property
Specific
models
library
CAPEOPEN
"socket"
"Expert mode"
VBScript
Simulis
Thermodynamics
Databases
import
In VBScript, a well known
or easy to learn language
taking advantage of
environment (pure
components properties, unit
conversions and
management,…)
23
www.prosim.net
YOU CAN PLUG A DLL WITH YOUR THERMO
PACKAGE INTO SIMULIS® THERMODYNAMICS
Thermodynamic experts
Limitations of VBScript
• Interpreted language
not very efficient
• Useful for
prototyping or
simple functions
CAPEOPEN
"socket"
have access to a
standardized
Specific
"Expert mode" development framework
library
VBScript
to easily plug existing
thermo DLLs
Simulis "Expert
mode"
Thermodynamics
DLL
(Cp,…)
Databases
import
"Expert mode"
DLL
Your thermo
www.prosim.net
YOU CAN USE REFPROP WITHIN
Specific
library
CAPEOPEN
"socket"
"Expert mode"
VBScript
Simulis
Refprop
Thermodynamics
Databases
import
REFPROP
Standard Reference
Database 23
"Expert mode"
DLL
NIST reference database for refrigerants
84 pure fluids and 5 pseudo-pure fluids (air…)
Helmoltz energy equation of state, MBWR, Bender…
24
www.prosim.net
SIMULIS® THERMODYNAMICS CAN WELCOME
YOUR KNOW-HOW
Your thermo
Specific
library
External
software able
to generate
CO packages
CAPEOPEN
"socket"
"Expert mode"
VBScript
Simulis
Refprop
Thermodynamics
(Aspen Properties,
Multiflash,
PPDS,…)
Databases
import
REFPROP
Standard Reference
Database 23
"Expert mode"
DLL
In-house DB
Cp ρ
λ σ µ
∆H kij
Your thermo
EXAMPLE OF INTERESTING COMBINATION
www.prosim.net
Your thermo legacy code
become CAPE-OPEN
"compliant":
"Usable" in other
applications
No knowledge of CO
technology required
Reduced development
time
Simulis
CAPEOPEN
"plug"
Refprop
Modeling tool
implementing
CO
Thermo
Socket
Aspen Plus, ProII,
Aspen HYSYS,
HTRI, gPROMS …
Thermodynamics
"Expert mode"
DLL
You don't need anymore to rely on
your sw provider to maintain the
specific interface with your code
Your thermo
25
www.prosim.net
MATLAB
Toolbox
External
software able
to generate
CO packages
CAPEOPEN
"socket"
Simulis
Thermodynamics
(Aspen Properties,
Multiflash,
PPDS,…)
You can use your favorite thermo package in MATLAB®
without any programming effort
www.prosim.net
You can use your favorite thermo
package in your own software (heat
exchanger design,…)
External
software able
to generate
CO packages
CAPEOPEN
"socket"
Simulis
Thermodynamics
(Aspen Properties,
Multiflash,
PPDS,…)
A.P.I.
Your software
26
www.prosim.net
MS-Excel
Add-In
Simulis
Refprop
Thermodynamics
REFPROP components and
models can be used in a
spreadsheet
REFPROP
Standard Reference
Database 23
You take advantage of both the
accuracy of REFPROP for
refrigerants and the userfriendliness of Simulis®
Thermodynamics
www.prosim.net
1.1
1.0
External
software able
to generate
CO packages
CAPEOPEN
"socket"
Simulis
CAPEOPEN
"plug"
Thermodynamics
(Aspen Properties,
Multiflash,
PPDS,…)
Modeling tool
implementing
CO
Thermo
Socket
Aspen Plus, ProII,
Aspen HYSYS,
HTRI, gPROMS …
1.0
1.1
You can use your favorite thermo package compliant only with
Thermo 1.0, in an application only compliant with Thermo 1.1
and vice-versa
27
CONCLUDING REMARKS
www.prosim.net
Simulis® Thermodynamics is a comprehensive tool
A full set of property models including advanced ones
Extended databases and robust flash algorithms
A full set of services
Its seamless integration in many codes is allowed
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
CONCLUDING REMARKS
www.prosim.net
Simulis® Thermodynamics allows several levels of use
Within MS-Excel or MATLAB® to perform more or less
complex engineering calculations
Embedded in other applications taking advantage of the
interfaces proposed (CAPE-OPEN, etc…)
As a framework to welcome existing thermodynamic models
or to develop new ones in view to use them in other
applications
28
CONCLUDING REMARKS
www.prosim.net
These levels of use can coexist in the same
organization allowing:
Minimization of learning time
Consistency of data & results between several applications
Easy deployment of "thermo expert" analysis
Repository of internal knowledge
It's not because you already have a thermo package
that you don't need Simulis® Thermodynamics
Due to our "low-cost" business model, the license
price must not be a limitation
"Thermodynamik-Kolloquium" und
"Ingenieurdaten"
24. - 26. September 2008, Universität
Erlangen-Nürnberg
SIMULIS® THERMODYNAMICS, JUST ONE
MORE THERMODYNAMIC PACKAGE ?
APPLICATION: MODELING OF
FORMALDEHYDE-WATER-METHANOL SYSTEM
AND PROPERTIES PREDICTION WITH
IMPLEMENTED EoS/GE MODELS
Olivier Baudouin, Stéphane Déchelotte, Alain Vacher
ProSim SA
Stratège Bâtiment A
BP 27210
F-31672 LABEGE Cedex
France
E-mail: info@prosim.net
Web: www.prosim.net
29

Simulis-Dechelotte-ProSim-Thermodynamik Kolloquium Erlangen

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