The Thermo SIG met from 10:30 am till 12:30 pm (Central European Time).
Agenda:
Develop specifications of interfaces (description of methods) for additional interfaces (reactive equilibrium and compound slates)
Participants
Sergej BLAGOV (BASF), Jasper van BATEN (AmsterCHEM), Mark STIJNMAN (Shell Global Solutions), Bjørn MARIBO-MOGENSEN (Hafnium Labs), Michel PONS (CO-LaN)
Summary
The Use Case UC-009 within the Chemical Reaction section has been revised. It pertains to validity checks performed in order to ensure that errors at calculation time are minimized through proper checks before hand. UC-009 extends UC-015 of the Unit Operation interface specification. UC-015, in a completely normal way does not contain any steps specific to reactions. A Reactor, i.e. a Unit Operation that handles reactions, has access to the list of reactions provided through the Material Object and is able to retrieve various pieces of information on these reactions in order to figure out if these reactions will permit the Reactor calculation when time comes to perform such a calculation. The modifications brought to UC-009 detail what is available to the Reactor and what ought to be done to validate the Reactor model.
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 ().