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Kinetics of C10H7Br Pyrolysis

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Abstract

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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Authors and Affiliations

  1. Samara National Research University, Moskovskoe shosse 34, Samara, 443086, Russia

    M. V. Zagidullin, D. P. Porfiriev, I. A. Medvedkov, A. M. Mebel & V. N. Azyazov

  2. Lebedev Physical Institute, Samara Branch, Russian Academy of Sciences, ul. Novo-Sadovaya 221, Samara, 443011, Russia

    M. V. Zagidullin & V. N. Azyazov

  3. University of Hawaii at Manoa, 2500 Campus Rd, Honolulu, Hawai’i, 96822, USA

    R. I. Kaiser

  4. Lawrence Berkeley National Laboratory, 1 Cyclotron Rd, Berkeley, California, 94720, USA

    M. Ahmed

  5. Florida International University, 11200 SW 8th St, Miami, Florida, 33199, USA

    A. M. Mebel

Authors
  1. M. V. Zagidullin
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  2. R. I. Kaiser
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  3. M. Ahmed
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  4. D. P. Porfiriev
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  5. I. A. Medvedkov
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  6. A. M. Mebel
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  7. V. N. Azyazov
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Corresponding author

Correspondence to M. V. Zagidullin.

Additional information

Original Russian Text © M.V. Zagidullin, R.I. Kaiser, M. Ahmed, D.P. Porfiriev, I.A. Medvedkov, A.M. Mebel, V.N. Azyazov, 2018, published in Kratkie Soobshcheniya po Fizike, 2018, Vol. 45, No. 10, pp. 38–44.

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Zagidullin, M.V., Kaiser, R.I., Ahmed, M. et al. Kinetics of C10H7Br Pyrolysis. Bull. Lebedev Phys. Inst. 45, 314–317 (2018). https://doi.org/10.3103/S106833561810007X

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  • DOI: https://doi.org/10.3103/S106833561810007X

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