1. Interface Specifications www.colan.org Software Download Thermodynamic and Physical Properties interface specification 1.1 Michel PONS (TOTAL) Richard SZCZEPANSKI (Infochem Computer Services Ltd) Chouaib BENQLILOU (UPC) For Thermo SIG

2. Interface Specifications www.colan.org Software Download Outline tWhy revising the Thermo specification? tExperience of implementing the new standard in the Thermo 1.1 prototypes tChanges to the 1.1 spec tSummary

3. Interface Specifications www.colan.org Software Download Thermo specification status tVersion 0.9.3  Has been implemented commercially in Aspen Plus, HYSYS.Process, gPROMS,…. tVersion 1.0  Does not involve any design changes  Some clarifications brought up in documentation  Implemented in Aspen Plus, HYSYS.Process, gPROMS, Multiflash, …

4. Interface Specifications www.colan.org Software Download Thermo 1.1 objectives tEnhance functionality  Phases Any number of phasesAny number of phases Any types of phases (previously liquid-vapour mostly)Any types of phases (previously liquid-vapour mostly)  Properties Constants (pure compounds)Constants (pure compounds) T/P-dependent properties (pure compounds)T/P-dependent properties (pure compounds) Single-phase mixture propertiesSingle-phase mixture properties 2-phase mixture properties2-phase mixture properties  Generalise flash specifications tEnable/support efficient implementations

5. Interface Specifications www.colan.org Software Download Thermo 1.1 objectives tEnhance design logic  Enquiry methods (eg. GetSinglePhasePropList)  Check methods (eg. CheckSinglePhasePropSpec)  Calculate methods (eg. CalcSinglePhaseProp)

6. Interface Specifications www.colan.org Software Download Objectives of Thermo 1.1 prototyping tCheck the overall design for deficiencies tMake 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. Interface Specifications www.colan.org Software Download Implementing the 1.1 Standard tPrototype components  CO Tester (UPC)  Property Package (Infochem)  Property Calculator (Infochem) tStrategy  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 tModels in prototypes  RKS eos, viscosity from mixing rule  Vapour, Liquid and AqueousLiquid phases  11 compounds  PT and PH flashes

8. Interface Specifications www.colan.org Software Download Implementing the 1.1 Standard tThe 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 tThe 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 themThe 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. Interface Specifications www.colan.org Software Download Implementing the 1.1 Standard tIssues raised by CO Tester development  What are the mandatory interfaces for each component? Property PackageProperty Package –ICapeThermoContext –ICapeThermoCompounds –ICapeThermoPhases –ICapeThermoPropertyRoutine –ICapeThermoEquilibriumRoutine ? –ICapeThermoUniversalConstant ? –ECape … ?  This is now clarified in the textual specification.

10. Interface Specifications www.colan.org Software Download Issues raised by CO Tester development tInterpretation 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 type Eg. CapeArrayString is a Variant containing an array of strings tAll identifiers are must be treated as case-insensitive tWhen is a phase ‘present’ ?  How are the GetPresentPhases and SetPresentPhases methods used? tCATIDs (in Windows registry) for version 1.1 Thermo components  Do we need new CATIDs? No is the answer.

11. Interface Specifications www.colan.org Software Download Issues raised by CO Tester development tSetMaterial 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? tWhich 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. Interface Specifications www.colan.org Software Download Changes to the 1.1 Spec tAdded to and clarified conditions for raising exceptions  Mainly to do with whether a MO has been defined and is valid tChanged descriptions of ICapeThermoCompounds methods to remove references to MO  GetCompoundConstant, GetPDependentProperty, GetTDependentProperty tNew properties  diffusionCoefficient (mixture)  idealGasEntropy (T-dependent part)

13. Interface Specifications www.colan.org Software Download Changes to the 1.1 Spec tClarifications  CalcEquilibrium  SetMaterial  UNDEFINED  CapeArray  Set/GetPresentPhases  Phase order for 2-phase properties  Note on properties of non-existent phases  …

14. Interface Specifications www.colan.org Software Download Summary tNo fundamental problems implementing Thermo 1.1 prototypes. tRelatively simple to implement. tOffers scope for efficient implementations. tClarifications of specification document done. tPending a small installation problem for prototypes, will be made available on the web site (v2.4.6)