Kinetics of C10H7Br Pyrolysis

Resumo

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.