Description du projet
Une plateforme logicielle pour les ingénieurs en réaction chimique
Jusqu’à ce jour, la conception de processus réactifs était principalement basée sur une méthode expérimentale par tâtonnements. L’intégration d’outils de simulation atomistique, mésoscopique et macroscopique dans les plateformes permet la modélisation multiéchelle des matériaux et processus réactifs. Le projet ReaxPro, financé par l’UE, fournira un outil logiciel pour comprendre et concevoir des processus rentables, respectueux de l’environnement et durables. Il a identifié un ensemble d’outils logiciels académiques qui seront transformés en logiciels interopérables faciles à apprendre. La plateforme logicielle ReaxPro et les services associés seront mis à disposition via le marché européen de la modélisation des matériaux grâce au partenariat du consortium avec les projets européens MARKETPLACE et VIMMP. Les utilisateurs de la plateforme de modélisation personnalisable et modulaire obtiendront un aperçu fondamental unique sur les processus réactifs, ce qui produira un impact mesurable sur l’économie de l’UE.
Objectif
Reactive process design has largely been based on trial-and-error experimentation and similarly, reactor design has utilised empirical kinetics (data-based models). On the other hand, physics-based modelling approaches are emerging as highly promising in the development of new catalytic materials and reactive processes, and it would be desirable to be able to use high-fidelity, first-principles-based reactor scale simulations for process design. Multi-equation models are steadily gaining ground in the chemical reaction engineering community, combining mature tools at each scale, from the molecular up to the reactor. However, such efforts are currently restricted to academia; a commercial modelling suite and software platform, accessible to the generalist user, is lacking. To address this challenge, ReaxPro has identified a set of academic software tools (EON, Zacros, CatalyticFOAM) which will be upscaled into easy-to-learn, user friendly, interoperable software that is supported and well documented. These tools will be further integrated with commercial software (ADF Modeling Suite) into an industry-ready solution for catalytic material and process design. The ReaxPro Software platform and associated services will be made available via the European Materials Modelling Marketplace through the consortium's partnership with ongoing EU projects MARKETPLACE and VIMMP. To fully reach the target technology readiness level of 7, ReaxPro has partnered with translators and industry for validation and demonstration in pilot- and industrial-scale user cases. As a result of the proposed activities, academia and industry will have at their disposal an integrated, interoperable, customisable and modular modelling platform, enabling users to gain unique fundamental insight on reactive processes, but also a ready-to-use tool for the design of cost-efficient, environmentally friendly and sustainable processes, delivering measurable impact on the entire EU economy.
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IA - Innovation actionCoordinateur
1081 HV Amsterdam
Pays-Bas
L’entreprise s’est définie comme une PME (petite et moyenne entreprise) au moment de la signature de la convention de subvention.