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CarbonX: A Process Design Tool for Gas-Phase Synthesis of Metal Nanoparticles, graphene layeres, and Carbon Nanotubes

Project description

CarbonX is a specialized Python package designed to model the gas-phase synthesis of nanoparticles in flame-assisted chemical vapor deposition (FCCVD) reactors. It supports the simulation of the formation and evolution of a wide range of nanoparticle species, including:

Carbon nanotubes (CNTs) Graphene layers Carbide and amorphous carbon structures Metallic nanoparticles such as Nickel (Ni) [DOI: 10.1021/acs.jpcc.2c07776] and Iron (Fe) [DOI: 10.1016/j.jaerosci.2025.106543], etc. The package [http://dx.doi.org/10.2139/ssrn.6583783] is primarily intended for plug-flow reactor environments, enabling the prediction of nanoparticle dynamics such as surface growth, coagulation, and agglomeration—mechanisms critical to controlling the morphology of carbon-based nanostructures and metallic nanoparticles.

Key Features:

Modular architecture for flexible kinetic and transport modeling Time- and space-resolved simulation of particle dynamics Extendable framework to accommodate custom nanoparticle types or reactor designs Research-oriented design, ideal for both academic and industrial applications

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