software projects

ChemSep is a powerful modeling tool for distillation columns on the basis of non-equilibrium models; see www.chemsep.com. Our task was to convert ChemSep's legacy Fortran code to CAPE-OPEN standards and to allow ChemSep to access CAPE-OPEN properties. Therefore, we developed a CAPE-OPEN intermediate interface that is accessed by CAPE-OPEN compliant simulators. This interface in turn launches the Chemsep executable to perform the required calculations. A shared memory object is used to exchange thermodynamic properties between the COSE (CAPE-OPEN Simulation Environment) and ChemSep. The CO-ChemSep implementation is fully functional. This project was successfully finished in collaboration with BP plc.

CosmoTherm is a product of Cosmologic GmbH that accurately estimates chemical potentials of mixtures on the basis of quantum mechanic properties. Our task was to provide a CAPE-OPEN compliant thermodynamic calculation routine that can be plugged into Aspen Plus. The project has been succesfully completeed. Our thermo-dynamic property package TEA is currently providing the support for external calculation routines. Using TEA, CosmoTherm can be plugged into Aspen as well as other CAPE-OPEN compliant simulation environments.

VMG is a Calgary based private company specialising in development of chemical engineering simulation software and consultancy. VMGThermo is an extensive thermodynamic calculation and compound library with advanced equilibrium calculation methods. VMGThermo has been succesfully interfaced with CAPE-OPEN in the form of a Thermodynamic calculation System / Property Package Manager. Also, a stand-alone environment was created to facilitate running CAPE-OPEN compliant unit operations using VMGThermo for all thermodynamic calculations. A front-end has been created for property package configuration. The thermodynamic system has been successfully tested in a variety of simulation environments. The unit operation socket has been successfully tested against various unit operations.

We have designed and implemented an interface layer for Shell Global Solutions BV to facilitate communication between process models and process modelling applications in a flexible, extendible manner, yet enforcing physical and thermodynamic properties to be defined system-wide, keeping in mind future interaction with third party standards such as CAPE-OPEN. A number of existing process models have been adapted to comply with the new framework requirements. Existing process modelling applications are subject to a redesign stage in which the designed interface layer will serve as a means to uniformly access various process models.

Infochem Computer Services is the leading independent supplier of thermodynamic software and consultancy services to the oil, gas and chemical industries. Multiflash is Infochem's thermodynamic package. Infochem was already on top of CAPE-OPEN developments using their own version 1.0 and version 1.1 CAPE-OPEN implementations. A new version of the CAPE-OPEN interfaces for Multiflash was designed. Targets were improved performance over the old interfaces and simpler maintenance and deployment. The project is completed, and the new interfaces are part of the Multiflash 3.8 release.