Háskóli Íslands

ReAxPro

Verkefnanúmer: 814416

Software Platform for Multiscale Modelling of Reactive Materials and Processes 

Upphafsdagur

Lokadagur

Staða

1.jan 2019

28.febrúar 2023

Í gangi

 
 Um verkefnið:

Heildarkostnaður
EUR 4.722.722,50

Viðfangsefni:
DT-NMBP-09-2018 - Accelerating the uptake of materials modelling software (IA)

Heildarstyrkur
EUR 
 4 114 410,75

Styrkur sóttur í:
H2020-NMBP-TO-IND-2018

Stýrt af:
SOFTWARE FOR CHEMISTRY & MATERIALS BV

Tegund styrks:
H2020-IA

Nánari upplýsingar um verkefnið má finna hér.

Heimasíða verkefnis: ReAxPro (https://www.reaxpro.eu/)

Markmið

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.

Verkefnastýring (e. Coordinator)

Software for Chemistry & Materials BV (SCM)                                                The Netherlands                                                 

Þátttakendur

Styrkþegar:

  • University College London (UCL)
  • Fraunhofer Gesellschaft zur Förderung der Angewandten Forschung E.V. (Fraunhofer)
  • BASF SE (BASF SE)
  • Johnson Matthey PLC (JM)
  • Politecnico de Milano (POLIMI)
  • Haskoli Islands (Univ of Iceland)
  • Kemijski Institut (NIC)
  • SurfSara BV (SURFSARA) 
  • Stichting Netherlands eScience Center (NLeSC)
Þú ert að nota: brimir.rhi.hi.is