Frank ECKERT is a trained chemist with a PhD in theoretical chemistry. He joined Dassault Systèmes (3DS) after 20 years of scientific research and code development of the COSMO-RS method, a first-principles method for the prediction of thermodynamic properties of liquids. Currently he is head of the “Fundamental Solvation Chemistry” group, and Application Manager for COSMOtherm, COSMOconf, and COSMObase in the BIOVIA brand.
First Frank introduced Dassault Systèmes as a company in terms of employees, partners, customers, and purpose. Then he placed on a timeline how the 3D virtualization approach has been developed as a 3D experience since 1981. Then Frank moved on to COSMO-RS, a product from the BIOVIA Solvation Chemistry business. COSMO-RS fulfills the need to understand the fluid thermodynamics which underly product’s properties. He gave the history behind COSMO-RS since it was introduced at the beginning of the 90s by Dr Andreas KLAMT. COSMOthermCO is part of the story, being one of the very first CAPE-OPEN Process Modelling Component introduced as a Property Calculation Routine. As reported by Jasper van BATEN at the CAPE-OPEN 2019 Annual Meeting, COSMOthermCO has now moved to AmsterCHEM and is made available in COSMOSPLIT.
Stating the purpose of 3DExperience® by Dassault Systèmes, and describing the platform on which it is delivered, Frank showed how the integrated workflow offered by 3DExperience® supports Chemical Process development where process simulations take a large part.
Process simulation applications are largely offered by 3rd parties and CAPE-OPEN provides the opportunity to bring 3rd party applications in the 3DExperience® platform in such steps as analysis of experimental results, scale-up and implementation. Frank expects other 3DS brands than BIOVIA to consider CAPE-OPEN technology. He mentioned DYMOLA as a possibility.