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Kinetics of C10H7Br Pyrolysis

  • Author(s): Zagidullin, MV
  • Kaiser, RI
  • Ahmed, M
  • Porfiriev, DP
  • Medvedkov, IA
  • Mebel, AM
  • Azyazov, VN
  • et al.
Abstract

© 2018, Allerton Press, Inc. The temperature and pressure-dependent rate constants for the process C10H7Br ↔ C10H7+Br were evaluated using the variable reaction coordinate transition state theory VRC-TST. The calculated rate constants and computational fluid dynamics (CFD) calculations were employed to estimate the pyrolysis efficiency of 2-bromonaphthalene in the resistively-heated SiC high-temperature “chemical reactor” at the temperature of about 1500 K. The observed 40% pyrolysis efficiency is reproduced by CFD calculations if the value of the calculated rate constant for the C10H7Br pyrolysis is increased by a factor of 2.

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