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Chemical vapor deposition (CVD) is a common industrial process thatincorporates a complex combination of fluid flow, chemical reactions, andsurface deposition. Understanding CVD processes requires rigorous and costlyexperimentation involving multiple spatial scales, from meters to nano-meters.Numerical modeling of deposition over macro-scale substrates has been conductedin literature and results show compliance with experimental data. For smallerscale substrates, where the corresponding Knudsen number is larger than zero,continuum modeling does not provide with accurate results that calls forimplementation of molecular-level modeling techniques. In the current study thefinite-volume method (FVM) and direct simulation Monte Carlo (DSMC) method havebeen coupled to model the reactor-scale flow with CVD around micro- and nano-scale fibers. CVD at fibers with round cross-section is modeled where fibersare oriented perpendicularly with respect to the feedstock gas flow. The DSMCmethod has been applied to modeling flow around the matrix of nano-scalecircular individual fibers. Results show that for smaller diameters ofindividual fibers with the same filling ratio, the residence time of gasparticles inside the fibrous media reduces, and, consequently, the amount ofmaterial surface deposition decrease.

Continuum and Molecular Modeling of Chemical Vapor Deposition over Nano-scale Substrates