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