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

Summary

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.

Y19 COEU COSMOsplit