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ModDev: Computer-Aided Modeling Tool

ModDev is a computer-aided system that helps in deriving, analyzing, and implementing model equations for various processes. It assists in integrating equations into existing simulators. Learn modeling steps, object representation, and control shells. Join EURECHA Workshop for in-depth training.

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ModDev: Computer-Aided Modeling Tool

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  1. C A P E C Computer Aided Modeling Tool - ModDev Rafiqul Gani CAPEC Department of Chemical Engineering, Technical University of Denmark, DK-2800 Lyngby, Denmark.

  2. Purpose of ModDev • Derive the model equations • Analyze model equations • Implement the model equations and integrate them to an existing simulator A computer aided system assists the user in performing the above tasks EURECHA Workshop on Computer Aided Modeling, Vezsprem, Hungary, June 3-4, 1999

  3. Modelling Steps * Balance Equations *Constraint Equations *Constitutive Equations Decomposition, creation, aggregation EURECHA Workshop on Computer Aided Modeling, Vezsprem, Hungary, June 3-4, 1999

  4. Model Objects (Building Blocks)

  5. Process-Model Relation Each process building block is represented by a set of control shells (with defined boundaries) and connections Control Shell Stream In Accumulation Out EURECHA Workshop on Computer Aided Modeling, Vezsprem, Hungary, June 3-4, 1999

  6. Model Generation Each control shell & connection is associated to a set of model (fundamental) building blocks Each model building block is either represented by a Reference Model or a generic (Created Model) building block Model equations available in the knowledge base Model equations not available in the knowledge base EURECHA Workshop on Computer Aided Modeling, Vezsprem, Hungary, June 3-4, 1999

  7. Control shells To model the various type of processes, the control shell must be defined such that the partial gradients (with respect to T, P and fI ) within the boundaries are either: • Negligible • Incorporated in an interface or overall flux model • Dependent on some product specification (design) EURECHA Workshop on Computer Aided Modeling, Vezsprem, Hungary, June 3-4, 1999

  8. Integrated Computer Aided System - ICAS • ICAS is a collection of tools which have been integrated to solve various CAPE problems in an integrated manner • ModDev is a toolbox within ICAS EURECHA Workshop on Computer Aided Modeling, Vezsprem, Hungary, June 3-4, 1999

  9. TOOL BOXES ICAS PROBLEM DEFINITION Flowsheet Components / Reactions Units of Measure Constitutive Models What to Solve Method of Solution Set/Initialize Variables Output (Detail/Form) Design / Synthesis Analysis ADD TO THE SYSTEM Solvent/Fluid Energy New Components (Property Prediction) Equipment Environmental Flowsheet Control New Reactions Control Thermodynamic New Models (Model Generation) Property Parameter Estimation Thermo-model Phase Diagrams INFORMATION STORAGE DATABANKS Kinetic Model Expert System SIMULATOR MANAGER Analysis Model Equations Adaptation Solvers Balance Equations Linearization Degrees of Freedom AE / ODE / DAE Constraint Equations Reduction Index / Sparse Pattern PDE Constitutive relations Identification Partitioning / Ordering LP / NLP MILP / MINLP EURECHA Workshop on Computer Aided Modeling, Vezsprem, Hungary, June 3-4, 1999 RHS RHS for the units that are solved together X

  10. Model Generation with ModDev • Draw Objects • Describe Objects • Screen equations • Analyze/Modify model equations • Translate model equations into a language that is integrated to the numerical routines EURECHA Workshop on Computer Aided Modeling, Vezsprem, Hungary, June 3-4, 1999

  11. Tools & options in ModDev (ModGen) EURECHA Workshop on Computer Aided Modeling, Vezsprem, Hungary, June 3-4, 1999

  12. Tools & options in ModDev (ModGen)

  13. Tools & options in ModDev (ModGen)

  14. Tools & options in ModDev (ModGen) EURECHA Workshop on Computer Aided Modeling, Vezsprem, Hungary, June 3-4, 1999

  15. Tools & options in ModDev (ModGen)

  16. Example - Steady state flash - I STREAM CONNECTION OBJECT Name: 3 Models for quantities: Energy (enthalpy): H3=@FUNC_E(2,f3[],T3,P3) Models for the “from”-connection: (equilibrium) Energy connection: T3=Tflash Momentum connection: P3=Pflash SHELL OBJECT Name: flash Assumed phase condition: Calculate (VL) Equilibrium model: 0= f2i/ ft2- Kflash * f3i/ft3i, @KEQ(Tflash, Pflash, f2[], f3[], #Kflash) SHELL CONNECTION OBJECT Name: heater Connection models: Energy connection: Qheater=Qflash

  17. Example - Steady state flash - II EURECHA Workshop on Computer Aided Modeling, Vezsprem, Hungary, June 3-4, 1999

  18. Example - Steady state flash - III EURECHA Workshop on Computer Aided Modeling, Vezsprem, Hungary, June 3-4, 1999

  19. Tutorial Exercises • Part-I: Model generation (steady state tank mixer, dynamic tank mixer, CSTR with different kinetics) • Part-II: Model analysis & translation (for each generated model check degrees of freedom, incidence matrix, generate code, …..) EURECHA Workshop on Computer Aided Modeling, Vezsprem, Hungary, June 3-4, 1999

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