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Thermodynamic and Physical Properties interface specification 1.1

Thermodynamic and Physical Properties interface specification 1.1. Michel PONS (TOTAL) Richard SZCZEPANSKI (Infochem Computer Services Ltd) Chouaib BENQLILOU (UPC) For Thermo SIG. Outline. Why revising the Thermo specification?

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Thermodynamic and Physical Properties interface specification 1.1

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  1. Thermodynamic and Physical Properties interface specification 1.1 Michel PONS (TOTAL) Richard SZCZEPANSKI (Infochem Computer Services Ltd) Chouaib BENQLILOU (UPC) For Thermo SIG

  2. Outline • Why revising the Thermo specification? • Experience of implementing the new standard in the Thermo 1.1 prototypes • Changes to the 1.1 spec • Summary

  3. Thermo specification status • Version 0.9.3 • Has been implemented commercially in Aspen Plus, HYSYS.Process, gPROMS,…. • Version 1.0 • Does not involve any design changes • Some clarifications brought up in documentation • Implemented in Aspen Plus, HYSYS.Process, gPROMS, Multiflash, …

  4. Thermo 1.1 objectives • Enhance functionality • Phases • Any number of phases • Any types of phases (previously liquid-vapour mostly) • Properties • Constants (pure compounds) • T/P-dependent properties (pure compounds) • Single-phase mixture properties • 2-phase mixture properties • Generalise flash specifications • Enable/support efficient implementations

  5. Thermo 1.1 objectives • Enhance design logic • Enquiry methods (eg. GetSinglePhasePropList) • Check methods (eg. CheckSinglePhasePropSpec) • Calculate methods (eg. CalcSinglePhaseProp)

  6. Objectives of Thermo 1.1 prototyping • Check the overall design for deficiencies • Make the specification a useful working document for developers • Clarity • Explain the purpose of each method • Indicate how it is supposed to work • Detailed description of arguments • List of exceptions

  7. Implementing the 1.1 Standard • Prototype components • CO Tester (UPC) • Property Package (Infochem) • Property Calculator (Infochem) • Strategy • VB code to implement the interfaces/methods • Calculation engine implemented as separate dll • PP and PC do not contain any compound, phase or model-specific code • Models in prototypes • RKS eos, viscosity from mixing rule • Vapour, Liquid and AqueousLiquid phases • 11 compounds • PT and PH flashes

  8. Implementing the 1.1 Standard • The good… • Started with the Multiflash 1.0 CO Property Package • Relatively straightforward to adapt and extend an existing 1.0 PP for 1.1 • Existing code for many methods, eg. CalcProp, can be reused and greatly simplified • The difficulties • Understanding how to create and use a COM component with lots of interfaces • Implementing the CO Error interfaces • The CO Error document is largely a list of interfaces and methods and does not help with how to implement them • Obscure VB errors when type libraries changed

  9. Implementing the 1.1 Standard • Issues raised by CO Tester development • What are the mandatory interfaces for each component? • Property Package • ICapeThermoContext • ICapeThermoCompounds • ICapeThermoPhases • ICapeThermoPropertyRoutine • ICapeThermoEquilibriumRoutine ? • ICapeThermoUniversalConstant ? • ECape … ? • This is now clarified in the textual specification.

  10. Issues raised by CO Tester development • Interpretation of argument types • UNDEFINED: is an empty Variant (was initially treated as a character string) • CapeArrayType This is a Variant containing an array of variables of the specified type not an array of Variants containing variables of the typeEg. CapeArrayString is a Variant containing an array of strings • All identifiers are must be treated as case-insensitive • When is a phase ‘present’ ? • How are the GetPresentPhases and SetPresentPhases methods used? • CATIDs (in Windows registry) for version 1.1 Thermo components • Do we need new CATIDs? No is the answer.

  11. Issues raised by CO Tester development • SetMaterial method (ICapeThermoContext) • How is it intended to be used? • The effects of calling this method are persistent • Do we need a way to remove a material (interface) once it has been set? • Which interfaces/methods need to have a valid MO defined before they can be used? • ICapeThermoCompounds – does not need MO • ICapeThermoPropertyRoutine/EquilibriumRoutine do need a MO

  12. Changes to the 1.1 Spec • Added to and clarified conditions for raising exceptions • Mainly to do with whether a MO has been defined and is valid • Changed descriptions of ICapeThermoCompounds methods to remove references to MO • GetCompoundConstant, GetPDependentProperty, GetTDependentProperty • New properties • diffusionCoefficient (mixture) • idealGasEntropy (T-dependent part)

  13. Changes to the 1.1 Spec • Clarifications • CalcEquilibrium • SetMaterial • UNDEFINED • CapeArray • Set/GetPresentPhases • Phase order for 2-phase properties • Note on properties of non-existent phases • …

  14. Summary • No fundamental problems implementing Thermo 1.1 prototypes. • Relatively simple to implement. • Offers scope for efficient implementations. • Clarifications of specification document done. • Pending a small installation problem for prototypes, will be made available on the web site (v2.4.6)

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