Descrizione del progetto
Una piattaforma software per ingegneri di reazioni chimiche
Ad oggi, la progettazione dei processi reattivi è basata principalmente su sperimentazioni ed errori. L’integrazione di strumenti di simulazione di atomistica, mesoscala e macroscala nelle piattaforme consente la modellazione multiscala di materiali e processi reattivi. Il progetto ReaxPro, finanziato dall’UE, fornirà uno strumento software per la comprensione e la progettazione di processi efficienti in termini di costi, ecocompatibili e sostenibili. Il progetto ha individuato un insieme di strumenti software accademici che saranno ampliati in software interoperabili facili da apprendere. La piattaforma software ReaxPro e i servizi correlati saranno resi disponibili grazie all’European Materials Modelling Marketplace, tramite il partenariato del consorzio con i progetti MARKETPLACE e VIMMP dell’UE. Gli utenti della piattaforma di modellazione modulare e personalizzabile acquisiranno una comprensione fondamentale impareggiabile sui processi reattivi, assicurando un impatto misurabile sull’economia dell’UE.
Obiettivo
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.
Campo scientifico
Parole chiave
Programma(i)
Invito a presentare proposte
Vedi altri progetti per questo bandoBando secondario
H2020-NMBP-TO-IND-2018
Meccanismo di finanziamento
IA - Innovation actionCoordinatore
1081 HV Amsterdam
Paesi Bassi
L’organizzazione si è definita una PMI (piccola e media impresa) al momento della firma dell’accordo di sovvenzione.