The Thermo SIG met from 10:30 pm till 12:30 pm (Central European Time).
Chemical Reaction interface specification.
Before the CAPE-OPEN 2019 Annual Meeting, the Thermo SIG core group wants to prepare the interface specification document on Chemical Reactions for a Request For Comments in order to get as many people as possible to review the document.
To this end, the comments of the first 25 pages were addressed today. Secondly, in order to prepare for a separate Common Interface specification document on Package Managers, the name of the ICapeThermoReactionPackageManager interface was simplified to ICapePackageManager. Compared to the ICapeThermoPropertyPackageManager interface, additional functionality has been brought lately in ICapeThermoReactionPackageManager interface, mostly to give the possibility to create and configure a Package from within the instance of the Package Manager that manages that Package. So whatever is on that in the Chemical Reaction interface specification is meant to be extracted to a new Common Interface specification that would make it applicable to Property Package Managers in a subsequent version of the CAPE-OPEN standard.
The outline of the report, to be given at the CAPE-OPEN 2019 Annual Meeting by the Thermo SIG, has been developed:
- Material Custom Data interface: RFC’d
- Reduced reaction set + motivation + example
- Heat of reaction now fully documented
- Common package manager interface -> use cases to be overhauled
- RFC for Chemical Reaction interface specification ongoing
Next meeting is scheduled for September 10, 2019.
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 () and Jasper van BATEN at AmsterCHEM ().