Modeling high-pressure char oxidation using langmuir kinetics with an effectiveness factor

The global nth order rate equation has been criticized for lack of theoretical basis and has been shown to be inadequate for modeling char oxidation rates as a function of total gas pressure. The simple Langmuir rate equation is believed to have more potential for modeling high pressure char oxidation. The intrinsic Langmuir rate equation is applied to graphite flake oxidation data and agrees well with reaction rates at three temperatures over the entire range of oxygen pressure (1–64 atm). It also explains the change of reaction order with temperature. In this work, the intrinsic Langmuir rate equation is combined with (1) an effectiveness factor to account for pore diffusion effects and (2) a random pore structure model to calculate effective diffusivity. The resulting model is able to predict the reaction rates of large (ca. 8 mm) coal char particles as a function of gas velocity, total pressure, oxygen partial pressure, oxygen mole fraction, initial particle size, and gas temperature. This approach is also able to correlate the particle burnouts of pulverized (70 lm) coal char particles in a drop tube reactor as a function of total pressure, oxygen mole fraction, gas and wall temperatures, and residence time. The ability of the model to correlate data over wide range of temperature and pressure is promising.

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