Picture of Jasper van BATEN (AmsterCHEM)At the CAPE-OPEN 2019 Annual Meeting, Jasper van BATEN presented (access PDF here) a contribution together with Frank ECKERT from COSMOlogic.


COSMOtherm has supported CAPE-OPEN functionality since 2006, in the form of a Property Calculation Routine. Several aspects could be improved upon, including performance and derivative support. In addition, limited PME support for Property Calculation Routines requires a strategy of incorporating the COSMOtherm in a software framework that provides the missing pieces.

In this presentation, the requirements are formulated to build a CAPE-OPEN Thermodynamic and Physical Property Package around COMOtherm calculations. To this end, a procedure is developed to project COSMOtherm activity calculations on the NRTL model, and several other software requirements are identified and provided. The COSMOsplit software is ready for release.