Logo of ChemSepWithin the CAPE-OPEN 2015 Annual Meeting, Harry KOOIJMAN (ChemSep) reported (PDF, 679 Kbytes) on the development of CAPE-OPEN Property Packages at ChemSep.

The presentation is co-authored by Professor Ross TAYLOR, the other architect of ChemSep software.

Harry starts by detailing the business case for CAPE-OPEN Property Packages. Then Harry asks the question about the ability of CAPE-OPEN to deal with reactive electrolyte models. For sure the corresponding CAPE-OPEN interface specification for Chemical Reactions is still under revision by the Thermo SIG.

Then the timeline of the development of the ChemSep CAPE-OPEN Property Packages is provided. This development benefited from the financial support of CO-LaN through the Consultancy Service scheme. As of October 2015, the components are available on-line while tests are being finalized.

The choices made for the implementation are detailed. The development made use of the COM CAPE-OPEN Wizard developed by AmsterCHEM who was contracted by CO-LaN to provide the Consultancy Service to ChemSep. The features of the Property Packages are then listed in terms of pure Compound constant and temperature-dependent properties, in terms of mixture properties and of types of phase equilibrium calculations. Support for version 1.0 of the CAPE-OPEN Thermodynamic and Physical Properties interface specification and for version 1.1 of the same business interface specification is provided.

Testing and validation was conducted at several levels: unitary tests as well as integrated tests with a variety of 3rd party CAPE-OPEN software (COFE, PRO/II, Unisim Design).

Then Harry goes on with describing a number of case studies taking advantage of the ChemSep CAPE-OPEN Property Packages.The one on the modelling and simulation of an air separation unit demonstrates the capability of testing a newly-enhanced thermodynamic model. The other case study on tracking impurities in MEG purification shows that using ChemSep CAPE-OPEN Property Packages does not impact the calculation speed while allowing for a detailed assessment of impurities.

ChemSep looks forward to the implementation of the revised Chemical Reactions interface specification once finalized. Further improvements on speed and robustness of the Property Packages are envisioned as well as an increase in the types of phase equilibrium available.