Abstract
Author(s): Zagidullin, MV; Kaiser, RI; Ahmed, M; Porfiriev, DP; Medvedkov, IA; Mebel, AM; Azyazov, VN | 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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