The Thermo SIG met from 2:30 pm till 4:30 pm (Central European Time).


BASF (represented by Sergej BLAGOV), AmsterCHEM (represented by Jasper van BATEN), Shell Global Solutions (represented by Mark STIJNMAN), The Dow Chemical Company (represented by John DODDLE), Michel PONS (Consultant as CTO)


Revision of the Chemical Reaction interface specification.


The conference call addressed both Use Case CR-011 titled <Check Reactions> and Use Case CR-016 titled <Solve a Reactor>.

Use Case <Check Reactions> makes sure that the list of active Chemical Reactions on the Reactor is a valid list for the Chemical Reaction Server so that calculation of the Reactor may take place and to enable the Reactor to obtain static data on Chemical Reactions considered active. Furthermore the Reactor may update its list of active Chemical Reactions to reflect external configuration changes. This Use Case is called by Use Case <Check Reactor> and is implemented by operation Validate of the ICapeUnit interface.

During this conference call, the list of checks that may be performed has been revised, emphasizing what must and what may be done. The expression of the post-conditions at the end of the Use Case has been modified to better reflect the possible outcome. The existence of specific errors within the Use Case has been discussed and consensus is that there is no specific error.

Use Case <Solve a Reactor> is an extension to a Reactor of the Use Case <Calculate> of the Unit Operation interface specification. Within the flow of events, a description of the request for a reduced reaction set by the Reactor has been introduced. That way stability of the reactor calculations can be achieved by considering some compounds as not present because in too low a concentration.

Next conference call is scheduled for June 11, 2019 at 10:30 am.