Special Issue "Nanoparticles: Synthesis and Multiscale Modelling"

Dear Colleagues,

Gas-phase synthesis methods show promise for the large-scale production of new functional nanomaterials as they do not involve the tedious steps of wet-phase synthesis. Aerosol-made nanoparticles have found application in catalysis, drug delivery, fuel cells, electroceramic devices, and sensor arrays. Challenging is, however, the scale-up in the production of new high-value products without altering their notable properties for their integration into functional devices. In fact, a long-standing difficulty is the development of relationships between nanoscale structural characteristics and nanoparticle macroscopic behavior that are linked to their functional properties. Simulation-based process design methods assist decisively in unravelling the formation and growth mechanisms of aerosol nanoparticles and their relation to product characteristics. Nonetheless, a main challenge in modelling gas-phase-made nanoparticles is the multiscale nature of their synthesis process that spans a large spectrum of length and time scales. Several advanced models are used complementary to experiments to reveal the complex dynamics that govern nanoscale phenomena during nanoparticle synthesis that span from the atomistic scale up to the particle and reactor level.

This Special Issue on “Nanoparticles: Synthesis and Multiscale Modelling” aims to attract high-quality research articles on the broad area of synthesis, modelling, and simulations of nanoparticle manufacturing in the gas-phase. Potential topics include, but are not limited to:

• nanoparticle synthesis in flame and plasma reactors;
• nanoparticle functionalization in the gas-phase;
• polymer–nanoparticle composites;
• carbonaceous nanoparticles from combustion or pyrolysis; and
• multiscale modelling of nanoparticle formation and growth.

Dr. Eirini Goudeli
Dr. M Reza Kholghy
Guest Editors

Manuscript Submission Information

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• nucleation, condensation/evaporation, and surface growth;
• sintering and coalescence;
• coagulation, fractal-like agglomerates/aggregates;
• gas-phase functionalization;
• chemical kinetics;
• density functional theory;
• molecular dynamics (classical, reactive, coarse-grained);
• optical properties of nanoparticles;
• mesoscale methods;
• computational fluid dynamics.