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NanoDome - Nanomaterials via Gas-Phase Synthesis: A Design-Oriented Modelling and Engineering Approach

9 - Industry, innovation and infrastructure; Research Projects; 2015; 2016; 2017; 2018

The main objective of the NanoDome project is to develop a robust model-based design and engineering toolkit for the
detailed prediction of complex nanomaterial structures produced in a commercially-relevant generic bottom-up Gas-Phase
(GP) synthesis process, to improve the control of the nanomaterial production and the industrially-scalable GP synthesis
process for more accurate final product properties (e.g. particle size, surface area, structure, chemical composition,
morphology and functionalization coatings) and provide potential end-users with a validated tool based on scientific
principles that enables predictive design of novel nanomaterials and novel GP production routes thereby shortening their
development process. This will be pursued by combining computational modelling, software development and systematic
validation activities at lab- and industrial-scale in a three-year project. Existing meso-scale nanomaterial GP synthesis
modelling approaches (Lagrangian and stochastic) will be extended and integrated with continuum-scale reactor models to
provide a fully functional single discrete mesoscopic model for the evolution of the nanoparticle population inside a control
volume as a function of time, together with detailed description of nanoparticle composition and internal structure (e.g. coreshell,
multi-layer, radially-dependent composition), particle interaction, coagulation and morphology. Industrial and lab-scale
validation will focus on a set of target materials of great impact for the EU, using technologies currently at TRL4-6. The work
proposed in the NanoDome project addresses the aforementioned challenges by delivering a modelling and analysis tool for
the detailed prediction of complex nanomaterial structures formation in a single-step and industrially scalable GP synthesis
process, in order to optimize existing processes, shorten the development of new processes and increase the production
rates.

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