The Thermo SIG met from 10:30 am till 12:30 pm (Central European Time).

Participants

BASF (represented by Sergej BLAGOV), AmsterCHEM (represented by Jasper van BATEN), Michel PONS (Consultant as CTO)

Agenda

Revision of the Chemical Reaction interface specification.

Highlights

The conference call addressed the section on Use Cases for Chemical Reactions.

The objective is to develop Use Cases, and a Use Case map, which are simple enough to be immediately understood by the reader while not making Use Cases dependent on the implementation of the Graphical User Interface of any Process Modelling Environment (PME).

Thermo SIG recognizes that Chemical Reaction functionality for a Flowsheet may originate from various sources, that the human being acting as the Flowsheet Builder needs to make a selection about the source to be used while being informed of the choices available which may differ from one situation to another: the PME may or may not offer a sub-system for handling chemical reactions, an already selected Property Package may or may not be capable of acting as a Chemical Reaction Package, a Chemical Reaction Package may be a stand-alone object or may depend from a Chemical Reaction Package Manager. Enumeration of available stand-alone Chemical Reaction Packages may be necessary to the Flowsheet Builder in order to select the right one. Enumeration of available Chemical Reaction Package Managers may also be necessary for informing the Flowsheet Builder of the available choices while enumeration of the Chemical Reaction Packages managed by a given Chemical Reaction Package Manager may also be necessary for the Flowsheet Builder to conduct its selection. However all these enumerations may be unnecessary if the Flowsheet Builder holds already the proper reference to the source of Chemical Reactions: a ProgId or a CLSID or a name for a Chemical Reaction Package managed by a Chemical Reaction Package Manager.

The Chemical Reaction Package Manager is implementing an interface which is quite more involved than its equivalent for a Property Package Manager (out of the Thermodynamic and Physical Properties interface specification in version 1.1): the capability to create a Chemical Reaction Package from scratch has been introduced to cope with the case where the end-user does not find what is needed in any available Chemical Reaction Package and decides to build it up from within the PME rather than having to get out from the PME to do this. This additional functionality corresponds to additional Use Cases.

Next conference call is scheduled for August 28, 2019 at 10:30 am.

 

 

 

Contact

Any CO-LaN Member interested in the Thermo SIG activities is welcome to join this Special Interest Group. Contact the co-leaders of the SIG for further information: Sergej BLAGOV at BASF (sergej.blagov@basf.com) and Jasper van BATEN at AmsterCHEM (jasper@amsterchem.com).