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gO:CAPE-OPEN Costas Pantelides Technology Director

Process Systems Enterprise Limited. gO:CAPE-OPEN Costas Pantelides Technology Director . CO-LaN Annual Meeting Leipzig, 13 February 2004. The model company. Overview. gO:CAPE-OPEN within the gPROMS v2.3 family gO:CAPE-OPEN: why and how ? Beyond the CAPE-OPEN mixer-splitter:

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gO:CAPE-OPEN Costas Pantelides Technology Director

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  1. Process Systems Enterprise Limited gO:CAPE-OPEN Costas Pantelides Technology Director CO-LaN Annual Meeting Leipzig, 13 February 2004 The model company

  2. 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

  3. gO:CAPE-OPEN within the gPROMS v2.3 family

  4. 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 gPROMS v2.3 family products

  5. gO:CAPE-OPEN: why and how ?

  6. 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

  7. gO:CAPE-OPEN+ gPROMS packaged model

  8. Identification information • Port information • Exchangeable quantities The gCO file • input or output • obligatory or optional connectivity • gPROMS mathematical model • (encrypted) input file • auxiliary files • Integers, reals, booleans, enumerated types • Scalars, or arrays/distributions of fixed or variable length • Input, output, or input-output Self-contained XML file

  9. Operation of gO:CAPE-OPEN • Expose CAPE-OPEN Unit Object interfaces to the host flowsheeting environment • Initialisation of simulation • parse gCO file • start gSERVER • load gPROMS model into gSERVER • perform model initialisation • Main computation loop • ask gPROMS model to perform unit object calculations whenever requested by host • Termination • save internal state

  10. gO:CAPE-OPEN exampleHigh-fidelity rate-based modelling of absorption columns with fast reaction

  11. 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

  12. 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

  13. 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.

  14. Packing column configuration and range of column operation Caustic soda solution • 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 equations Processed gas

  15. Process Systems Enterprise Limited The model company www.psenterprise.com

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