gO:CAPE-OPENCostas PantelidesTechnology Director
The model company
Process Systems Enterprise Limited
CO-LaN Annual MeetingLeipzig, 13 February 2004
Overview
gO:CAPE-OPEN within the gPROMS v2.3 family
gO:CAPE-OPEN: why and how ? Beyond the CAPE-OPEN mixer-splitter:
High-fidelity rate-based modelling of reactive absorption
Demonstration
gO:CAPE-OPEN within the gPROMS v2.3 family
gPROMS v2.3 family products gPROMS
ModelBuilder
gSERVER for 3rd party gPROMS-based applications
gO:CAPE-OPEN
gO:CFD
gO:MATLAB
gO:RUN
gO:Simulink
…consistent models, same engine
across the product/process lifecycle
CONCEPT OPERATIONDESIGN
TC
A
TCTC
A
DESIGN
gO:CAPE-OPEN: why and how ?
gO:CAPE-OPEN overview
Introduce advanced gPROMS models within CAPE-OPEN compliant steady-state flowsheeting packages e.g. ASPEN PLUS™ HYSYS™
Consistent physical properties used throughout
No programming required retain advantages of gPROMS-based modelling
gO:CAPE-OPEN+
gPROMS packaged model
Identification information Port information Exchangeable quantities
gPROMS mathematical
model (encrypted) input file auxiliary files
The gCO file
Integers, reals, booleans, enumerated types Scalars, or arrays/distributions of fixed or variable length Input, output, or input-output
Self-contained XML file
input or output obligatory or optional connectivity
Operation of gO:CAPE-OPEN
1. Expose CAPE-OPEN Unit Object interfaces to the host flowsheeting environment
2. Initialisation of simulation parse gCO file start gSERVER load gPROMS model into gSERVER perform model initialisation
3. Main computation loop ask gPROMS model to perform unit object calculations
whenever requested by host
4. Termination save internal state
gO:CAPE-OPEN example
High-fidelity rate-based modelling of absorption columns with fast reaction
Rate-based modelling is necessary for…
Accurate tracking of impurities Prediction of departure from equilibrium
caused by limited rates of mass and heat transfer
Prediction of reverse diffusion Prediction of diffusion barriers Prediction of interactions between diffusion
and fast reactions Prediction of effective reaction rates
Rate-based modelling is applicable to…
Reactive and non-reactive absorption Reactive distillation Condensation at the presence of
non-condensibles Evaporation Liquid-liquid extraction Multiphase reactors
CO2 removal in reactive absorption packing columngO:CAPE-OPEN in ASPEN PLUS
P. Tontiwachuwuthikul, A. Meisen, C.J.Lim, Chemical Engineering Science, 47, pp. 381 390, 1992.
Packing column configuration and range of column operation
Height: 4.3 – 6.5 [m] Diameter: 0.1 [m] Packing:
½’’ Berl Saddles Liquid feed:
NaOH solution 0.75 – 2.5 mol/l
Gas feed: 9.1 – 18.7% CO2
>47000 equationsProcessed gas
Caustic soda solution
2
2 3
23 3
23 3
H O OH H
CO OH HCO
HCO H CO
NaCO Na CO
Process Systems Enterprise Limited
The model company
www.psenterprise.com