Two-dimensional simulation of an oxy-acetylene torch diamond reactor with a detailed gas-phase and surface mechanism

Abstract

Document VersionPublisher's PDF, also known as Version of Record (includes final page, issue and volume numbers) Please check the document version of this publication:• A submitted manuscript is the author's version of the article upon submission and before peer-review. There can be important differences between the submitted version and the official published version of record. People interested in the research are advised to contact the author for the final version of the publication, or visit the DOI to the publisher's website.• The final author version and the galley proof are versions of the publication after peer review.• The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication Citation for published version (APA):Okkerse, M., Kleijn, C. R., van den Akker, H. E. A., Croon, de, M. H. J. M., & Marin, G. B. M. M. (2000). Twodimensional simulation of an oxy-acetylene torch diamond reactor with a detailed gas-phase and surface mechanism. Journal of Applied Physics, 88(7), 4417-4428. DOI: 10.1063/1.1309052 General rightsCopyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights.• Users may download and print one copy of any publication from the public portal for the purpose of private study or research.• You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal ? 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 two-dimensional model is presented for the hydrodynamics and chemistry of an oxy-acetylene torch reactor for chemical vapor deposition of diamond, and it is validated against spectroscopy and growth rate data from the literature. The model combines the laminar equations for flow, heat, and mass transfer with combustion and deposition chemistries, and includes multicomponent diffusion and thermodiffusion. A two-step solution approach is used. In the first step, a lumped chemistry model is used to calculate the flame shape, temperatures and hydrodynamics. In the second step, a detailed, 27 species / 119 elementary reactions gas phase chemistry model and a 41 species / 67 elementary reactions surface chemistry model are used to calculate radicals and intermediates concentrations in the gas phase and at the surface, as well as growth rates. Important experimental trends are predicted correctly, but there are some discrepancies. The main problem lies in the use of the Miller-Melius hydrocarbon combustion mechanism for rich oxy-acetylene flames. ͓J. A. Miller and C. F. Melius, Combustion and Flame 91, 21 ͑1992͔͒. Despite this problem, some aspects of the diamo...

Multi-scale modeling of chemical vapor deposition processes for thin film technology

“…comparison between model predictions and experimental data for the film growth as a function of surface temperature. With the described model, it was possible to explain and predict the non-uniformity in thickness and quality of the deposited diamond film [162,163].…”

“…Okkerse and coworkers [30,162,163] constructed a twodimensional axi-symmetric model of the process, based on the simultaneous simulation of (i) the multi-reaction combustion chemistry in the flame, (ii) the multi-reaction deposition chemistry at the surface, and (iii) the multicomponent transport phenomena.…”

“…Computed isotherms in the oxy-acetylene torch reactor (from Ref. [162]). comparison between model predictions and experimental data for the film growth as a function of surface temperature.…”

Influence of nitrogen on diamond growth in oxyacetylene combustion chemical vapor deposition

“…13 It contains CH 3 and C 2 H 2 as gaseous growth precursors, and atomic hydrogen and oxygen as etching species. Earlier, 13,14 these two chemistry models were combined with one-dimensional ͑1D͒ and two-dimensional ͑2D͒ hydrodynamic model. Figure 2 shows calculated isotherms and streamlines as calculated by the 2D model.…”

Modeling of flame assisted chemical vapor deposition of silicon films

“…To lower the computational cost, the two-step solution procedure suggested by others was here adopted for both the 1D and the 2D models: the momentum, energy and mass balances for each species involved in the flame chemistry were first solved and the calculated velocity, pressure, and temperature fields became inputs to precursor species conservation equations, while the consumption of the reacting gas stream (i.e., the deposition rate) was represented by a boundary condition on the reacting areas [10,11].…”