Correlation between Homogeneous Propane Pyrolysis and Pyrocarbon Deposition

Pyrocarbon deposition through propane pyrolysis is studied in a 1-D hot-wall CVD furnace. The gas-phase pyrolysis is modeled with a partially reduced kinetic mechanism leading to polycyclic aromatic compounds (PAHs). The C2-C4 and C3 reaction paths are in competition for benzene formation. There is also an independent C3-C5 path leading to naphthalene. The gas-phase concentrations are correlated with experimental data including in situ Fourier transform infrared spectra intensities, pyrocarbon deposition rates, and pyrocarbon nanotextures. Rough laminar pyrocarbon deposition appears to be more related to PAHs than smooth laminar pyrocarbon.