The Thermo SIG met from 3 pm till 5 pm (Central European Time).
Revision of the Chemical Reaction interface specification.
The discussion progressed without conclusion yet on how to deal with the following scenario.
The end-user has configured a Reactor (a Unit Operation handling Chemical Reactions) with a set of active Chemical Reactions out of the set of Chemical Reactions that the Chemical Reaction Server exposes. During the validation of the Reactor, at the request of the Reactor, the set of active Reactions has been checked by the Chemical Reaction Server against the Compounds present in the list of Compounds defined on the context Material Object, that is the Material Object that has been set on the Chemical Reaction Server. However this check is made only against the list of Compounds: when ICapeUnit::Validate is called on the Reactor, the composition of the Material Object is not set.Still it permits to provide the Reactor with a set of Chemical Reactions that corresponds to the subset of Compounds defined on the Material Object (and maybe throughout the Flowsheet).
When ICapeUnit::Calculate is called by the PME onto the Reactor which has been validated, it may happen that one or several of the Compounds involved in active Chemical Reactions have zero composition. Absence of a number of Compounds may lead to re-considering the list of Chemical Reactions to be handled, eventually having the Chemical Reaction Server create new Chemical Reactions by linear combinations of Chemical Reactions, in order to let aside Compounds which are not there.
This sequence raises a number of questions. How often such a check need to be performed? How linear combinations of Chemical Reactions will be identified? What is the life-span of the revised set of Chemical Reactions?….
Next conference call is called for December 7, 2018 at 3:30 pm.
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 ().