The Thermo SIG met from 10:30 am till 12:30 pm (Central European Time).
Custom Data interface specification and Chemical Reaction Package interface specification..
After correcting some wording in the current version of the Custom Data interface specification, and pending some further review of the terms used in the requirement section, the Thermo SIG went back to the Chemical Reaction Package interface specification and, more precisely, to the energy balance aspects.
In order to better define the design needed in order to tackle the general case of a Chemical Reaction Package and of a Property Package from different sources and hence maybe exhibiting inconsistent thermodynamics, the example previously developed by Jasper van BATEN was expanded. The sequence of calculations performed by each software component involved was partially explicited. More work seems needed in order to address all possible cases.
Next conference call is scheduled for June 11, 2018.
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 ().