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Numerical Simulation of Hydrocarbon-Hydrogen Reaction Chemistry in a CVD Reactor

[+] Author Affiliations
R. K. Garg, J. P. Gore, T. S. Fisher

Purdue University, West Lafayette, IN

Paper No. IMECE2003-42076, pp. 861-867; 7 pages
  • ASME 2003 International Mechanical Engineering Congress and Exposition
  • Electronic and Photonic Packaging, Electrical Systems and Photonic Design, and Nanotechnology
  • Washington, DC, USA, November 15–21, 2003
  • Conference Sponsors: Electronic and Photonic Packaging Division
  • ISBN: 0-7918-3714-9 | eISBN: 0-7918-4663-6, 0-7918-4664-4, 0-7918-4665-2
  • Copyright © 2003 by ASME


In the present work, gas-phase reactions for three different hydrocarbon-hydrogen mixtures (CH4 +H2 , C2 H2 +H2 and C2 H4 +H2 ) in the presence of volumetric energy input were simulated in a chemical vapor deposition (CVD) reactor. The goal of the simulations is to estimate the concentrations of species responsible for the formation of carbon nanotubes (CNTs). These estimates are expected to aid in understanding fundamental mechanisms of CNT formation and in controlling the synthesis process through process parameters such as inlet composition and temperature of the mixture, reactor pressure and microwave power. The simulation employs gas-phase kinetics of the GRI-2.11 mechanism with only reactions involving neutral molecules that contain C and H atoms. The results indicate that the concentrations of H radicals and C atoms increase with increases in energy deposition rate.

Copyright © 2003 by ASME



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