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

Participants

AmsterCHEM (represented by Jasper van BATEN), Shell Global Solutions represented by Mark STIJNMAN,  Michel PONS (Consultant as CTO)

Agenda

Revising the reactive Phase Equilibrium chapter of the Chemical Reactions interface specification.

Highlights

Thermo SIG is focusing its work on the reactive Phase Equilibrium chapter of the revised Chemical Reactions interface specification. At the last conference call, additional requirements have been worked out to let a PME know about a Property Package or Equilibrium Server capabilities in terms of reactive Phase Equilibrium. Also additional requirements have been created on the need for the PME to advertise that it is capable to handle Chemical Reactions.

More specifically, Thermo SIG has introduced today requirement numbered 28 which forces a PME supporting Chemical Reactions to set the Simulation Context on the Property Package. This requirement is already present as just a recommendation for any PME supporting or not Chemical Reactions. In the specific context of Chemical Reactions, since a Named Value has been introduced to let the PME advertise its support for Chemical Reactions, it is necessary for the Simulation Context to be set early on so that the Property Package may look for the adequate Named Value and its value.

Following this introduction of requirement 28, the rationale of requirement numbered 30 has been modified to point back to requirement numbered 28.

Furthermore, the description of the rationale for requirement numbered 31 (should a PME support Chemical Reactions,  it must know if the Phase Equilibrium is reactive in the selected Property Package) has been enhanced with the check on the IsReactive property on the Property Package as the design solution.

Then requirement numbered 32 (if the Equilibrium Server is reactive, Phase Equilibrium calculations may only be performed by the Equilibrium Server) has been finalized since it was the last point discussed at the previous conference call. Its exact wording has been much debated to make it general while as complete as possible.

Lastly the rationale of requirement numbered  33 (any PMC consuming thermodynamics must advertise that it supports Reactive Phase Equilibrium in its calculations.) has been modified so that it actually differentiates between Unit Operations and other PMCs consuming thermodynamics. In mind are especially Flowsheet Monitoring Components who may consume thermodynamics. At first only Unit Operations were considered.

Next conference call is scheduled for December 4, 2019.

 

Contact

Picture of Sergej BLAGOV, BASF (2018)Picture of Jasper van BATEN (AmsterCHEM)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 (). The Thermo SIG is looking for additional parties, well versed into any aspect of thermodynamics applied to process simulation and willing to contribute to the maintenance and development of CAPE-OPEN interface specifications related to thermodynamical aspects.