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Citation for published version (APA):Okkerse, M., Croon, de, M. H. J. M., Kleijn, C. R., van den Akker, H. E. A., & Marin, G. B. M. M. (1998). A surface and a gas-phase mechanism for the description of growth on the diamond(100) surface in an oxyacetylene torch reactor. Journal of Applied Physics, 84(11), 6387-6398. DOI: 10.1063/1.368965
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Take down policyIf you believe that this document breaches copyright please contact us providing details, and we will remove access to the work immediately and investigate your claim. A gas-phase and a surface mechanism were developed, suitable for multidimensional simulations of diamond oxy-acetylene torch reactors. The gas-phase mechanism was obtained by reducing a 48 species combustion chemistry mechanism to a 27 species mechanism with the aid of sensitivity analysis. The surface mechanism for growth on monocrystalline ͑100͒ surfaces developed, was based on literature quantum-mechanical calculations by Skokov et al. It consists of 67 elementary reaction steps and 41 species, and contains CH 3 and C 2 H 2 as gas-phase growth precursors and atomic hydrogen and oxygen to etch carbon from the surface. The gas-phase and surface chemistry models were tested in one-dimensional simulations, yielding dependencies of the growth rate on feed composition and surface temperature that are in qualitative agreement with the experiments. A more detailed study of the surface chemistry showed that, compared to CH 3 , acetylene contributes very little to diamond growth. Furthermore, molecular and atomic oxygen do not affect the diamond surface as much as atomic hydrogen because of their low concentrations.