The Thermo SIG met from 10:30 pm 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), Bjørn MARIBO-MOGENSEN (Hafnium Labs), Mark STIJNMAN (Shell Global Solutions), Michel PONS

Outcome: the group was pleased with the progress which focused on defining methods within ICapeThermoEquilibriumRoutineII. The CalcEquilibrium routine was described to a large extent, introducing two arguments, one to let the caller disable reactions from the calculation requested and the other to obtain the change in moles due to the reactions. A new method was introduced to retrieve the information on the reactive nature of the equilibrium model.

 

 

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).