The Thermo SIG met from 10:30 am till 12:40 pm (Central European Time).

Agenda

Chemical Reaction Package interface specification

Participants

BASF (Sergej BLAGOV), AmsterCHEM (Jasper van BATEN), Chief Technology Officer (Michel PONS – Contractor)

Highlights

Recent issues raised by AmsterCHEM about binary diffusion coefficients are discussed as well as input received from KBC Adlvanced Technologies (Richard SZCZEPANSKI) on these matters. Way forward in terms of collecting input by other parties and need to develop an errata and clarifications on this are decided.

Next the Chemical Reaction Package interface specification document is progressed, i.e.:mainly the chapter about energy balance is addressed. What is at stake is the definition and calculation of a correction term in the energy balance. This correction term addresses the possible discrepancies in references and data between a Chemical Reaction Server and a Property Package for what pertains to the heat of reaction. Consequently the case of a saparate Chemical Reaction Server and Property Package is further described, mentioning the responsabilities of each software object in the calculation of such a correction term. The Chemical Reaction Server is responsible for calculating the correction term, drawing whatever information it needs from the Property Package. The correction term is made available to the Reactor for inclusion in its energy balance. A list of examples, of increasing complexity, is established and the description of the first example is started.

Next conference call is scheduled for July 31, 2018.

 

 

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).